Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-13 11:50:47 UTC |
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Update Date | 2021-09-14 15:39:02 UTC |
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HMDB ID | HMDB0041969 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Oxazepam glucuronide |
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Description | Oxazepam glucuronide belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond. Based on a literature review very few articles have been published on Oxazepam glucuronide. |
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Structure | O[C@@H]1[C@@H](O)[C@H](OC2N=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N=C2O)O[C@@H]([C@H]1O)C(O)=O InChI=1S/C21H19ClN2O8/c22-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)24-19(18(28)23-12)32-21-16(27)14(25)15(26)17(31-21)20(29)30/h1-8,14-17,19,21,25-27H,(H,23,28)(H,29,30)/t14-,15-,16+,17-,19?,21-/m0/s1 |
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Synonyms | Value | Source |
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Oxazepam glucuronide, (R)-isomer | HMDB | Oxazepam glucuronide, (S)-isomer | HMDB | (2S,3S,4S,5R,6S)-6-[(7-Chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate | HMDB | Oxazepam glucuronide | MeSH |
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Chemical Formula | C21H19ClN2O8 |
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Average Molecular Weight | 462.837 |
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Monoisotopic Molecular Weight | 462.082993301 |
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IUPAC Name | (2S,3S,4S,5R,6S)-6-[(7-chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
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Traditional Name | (2S,3S,4S,5R,6S)-6-[(7-chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
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CAS Registry Number | 6801-81-6 |
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SMILES | O[C@@H]1[C@@H](O)[C@H](OC2N=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N=C2O)O[C@@H]([C@H]1O)C(O)=O |
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InChI Identifier | InChI=1S/C21H19ClN2O8/c22-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)24-19(18(28)23-12)32-21-16(27)14(25)15(26)17(31-21)20(29)30/h1-8,14-17,19,21,25-27H,(H,23,28)(H,29,30)/t14-,15-,16+,17-,19?,21-/m0/s1 |
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InChI Key | FIKQKGFUBZQEBL-IFBJMGMISA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Carbohydrates and carbohydrate conjugates |
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Direct Parent | O-glucuronides |
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Alternative Parents | |
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Substituents | - O-glucuronide
- 1-o-glucuronide
- Hexose monosaccharide
- Benzodiazepine
- 1,4-benzodiazepine
- Glycosyl compound
- O-glycosyl compound
- Alpha-amino acid or derivatives
- Beta-hydroxy acid
- Monocyclic benzene moiety
- Hydroxy acid
- Benzenoid
- Monosaccharide
- Aryl chloride
- Pyran
- Oxane
- Aryl halide
- Carboxamide group
- Ketimine
- Lactam
- Secondary carboxylic acid amide
- Secondary alcohol
- Polyol
- Oxacycle
- Azacycle
- Acetal
- Carboxylic acid derivative
- Carboxylic acid
- Organoheterocyclic compound
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Monocarboxylic acid or derivatives
- Organochloride
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organohalogen compound
- Organonitrogen compound
- Imine
- Alcohol
- Organic nitrogen compound
- Carbonyl group
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Oxazepam glucuronide,1TMS,isomer #1 | C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)O[C@H](C(=O)O)[C@H]1O | 3601.4 | Semi standard non polar | 33892256 | Oxazepam glucuronide,1TMS,isomer #2 | C[Si](C)(C)O[C@H]1[C@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O | 3594.0 | Semi standard non polar | 33892256 | Oxazepam glucuronide,1TMS,isomer #3 | C[Si](C)(C)OC1=NC2=CC=C(Cl)C=C2C(C2=CC=CC=C2)=NC1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O | 3596.1 | Semi standard non polar | 33892256 | Oxazepam glucuronide,1TMS,isomer #4 | C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)[C@H](O)[C@H]1O | 3635.9 | Semi standard non polar | 33892256 | Oxazepam glucuronide,1TMS,isomer #5 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)[C@H](O)[C@@H](O)[C@@H]1O | 3570.5 | Semi standard non polar | 33892256 | Oxazepam glucuronide,2TMS,isomer #1 | C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)[C@@H]1O[Si](C)(C)C | 3506.8 | Semi standard non polar | 33892256 | Oxazepam glucuronide,2TMS,isomer #10 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C | 3515.6 | Semi standard non polar | 33892256 | Oxazepam glucuronide,2TMS,isomer #2 | C[Si](C)(C)OC1=NC2=CC=C(Cl)C=C2C(C2=CC=CC=C2)=NC1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O | 3507.9 | Semi standard non polar | 33892256 | Oxazepam glucuronide,2TMS,isomer #3 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O | 3500.5 | Semi standard non polar | 33892256 | Oxazepam glucuronide,2TMS,isomer #4 | C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)[C@H](O)[C@H]1O[Si](C)(C)C | 3533.7 | Semi standard non polar | 33892256 | Oxazepam glucuronide,2TMS,isomer #5 | C[Si](C)(C)OC1=NC2=CC=C(Cl)C=C2C(C2=CC=CC=C2)=NC1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C | 3506.0 | Semi standard non polar | 33892256 | Oxazepam glucuronide,2TMS,isomer #6 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O | 3482.2 | Semi standard non polar | 33892256 | Oxazepam glucuronide,2TMS,isomer #7 | C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)[C@H](O[Si](C)(C)C)[C@H]1O | 3519.5 | Semi standard non polar | 33892256 | Oxazepam glucuronide,2TMS,isomer #8 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O | 3491.0 | Semi standard non polar | 33892256 | Oxazepam glucuronide,2TMS,isomer #9 | C[Si](C)(C)OC1=NC2=CC=C(Cl)C=C2C(C2=CC=CC=C2)=NC1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O | 3528.2 | Semi standard non polar | 33892256 | Oxazepam glucuronide,3TMS,isomer #1 | C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C | 3496.5 | Semi standard non polar | 33892256 | Oxazepam glucuronide,3TMS,isomer #10 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C | 3497.0 | Semi standard non polar | 33892256 | Oxazepam glucuronide,3TMS,isomer #2 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O | 3466.3 | Semi standard non polar | 33892256 | Oxazepam glucuronide,3TMS,isomer #3 | C[Si](C)(C)OC1=NC2=CC=C(Cl)C=C2C(C2=CC=CC=C2)=NC1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C | 3469.6 | Semi standard non polar | 33892256 | Oxazepam glucuronide,3TMS,isomer #4 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O | 3473.8 | Semi standard non polar | 33892256 | Oxazepam glucuronide,3TMS,isomer #5 | C[Si](C)(C)OC1=NC2=CC=C(Cl)C=C2C(C2=CC=CC=C2)=NC1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O | 3498.6 | Semi standard non polar | 33892256 | Oxazepam glucuronide,3TMS,isomer #6 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 3493.0 | Semi standard non polar | 33892256 | Oxazepam glucuronide,3TMS,isomer #7 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O | 3463.2 | Semi standard non polar | 33892256 | Oxazepam glucuronide,3TMS,isomer #8 | C[Si](C)(C)OC1=NC2=CC=C(Cl)C=C2C(C2=CC=CC=C2)=NC1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C | 3491.3 | Semi standard non polar | 33892256 | Oxazepam glucuronide,3TMS,isomer #9 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C | 3479.3 | Semi standard non polar | 33892256 | Oxazepam glucuronide,4TMS,isomer #1 | C[Si](C)(C)OC1=NC2=CC=C(Cl)C=C2C(C2=CC=CC=C2)=NC1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C | 3486.6 | Semi standard non polar | 33892256 | Oxazepam glucuronide,4TMS,isomer #2 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 3488.3 | Semi standard non polar | 33892256 | Oxazepam glucuronide,4TMS,isomer #3 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O | 3450.3 | Semi standard non polar | 33892256 | Oxazepam glucuronide,4TMS,isomer #4 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 3473.2 | Semi standard non polar | 33892256 | Oxazepam glucuronide,4TMS,isomer #5 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C | 3469.8 | Semi standard non polar | 33892256 | Oxazepam glucuronide,5TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 3499.7 | Semi standard non polar | 33892256 | Oxazepam glucuronide,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)O[C@H](C(=O)O)[C@H]1O | 3776.9 | Semi standard non polar | 33892256 | Oxazepam glucuronide,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O | 3763.6 | Semi standard non polar | 33892256 | Oxazepam glucuronide,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=NC2=CC=C(Cl)C=C2C(C2=CC=CC=C2)=NC1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O | 3768.6 | Semi standard non polar | 33892256 | Oxazepam glucuronide,1TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)[C@H](O)[C@H]1O | 3800.1 | Semi standard non polar | 33892256 | Oxazepam glucuronide,1TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)[C@H](O)[C@@H](O)[C@@H]1O | 3789.3 | Semi standard non polar | 33892256 | Oxazepam glucuronide,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)[C@@H]1O[Si](C)(C)C(C)(C)C | 3829.2 | Semi standard non polar | 33892256 | Oxazepam glucuronide,2TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 3883.2 | Semi standard non polar | 33892256 | Oxazepam glucuronide,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=NC2=CC=C(Cl)C=C2C(C2=CC=CC=C2)=NC1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O | 3847.1 | Semi standard non polar | 33892256 | Oxazepam glucuronide,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | 3852.6 | Semi standard non polar | 33892256 | Oxazepam glucuronide,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | 3862.3 | Semi standard non polar | 33892256 | Oxazepam glucuronide,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC1=NC2=CC=C(Cl)C=C2C(C2=CC=CC=C2)=NC1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | 3847.3 | Semi standard non polar | 33892256 | Oxazepam glucuronide,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O | 3859.8 | Semi standard non polar | 33892256 | Oxazepam glucuronide,2TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O | 3847.5 | Semi standard non polar | 33892256 | Oxazepam glucuronide,2TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O | 3849.4 | Semi standard non polar | 33892256 | Oxazepam glucuronide,2TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OC1=NC2=CC=C(Cl)C=C2C(C2=CC=CC=C2)=NC1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O | 3864.7 | Semi standard non polar | 33892256 | Oxazepam glucuronide,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C(C)(C)C | 3967.7 | Semi standard non polar | 33892256 | Oxazepam glucuronide,3TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 3960.0 | Semi standard non polar | 33892256 | Oxazepam glucuronide,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | 3937.6 | Semi standard non polar | 33892256 | Oxazepam glucuronide,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=NC2=CC=C(Cl)C=C2C(C2=CC=CC=C2)=NC1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C | 3934.9 | Semi standard non polar | 33892256 | Oxazepam glucuronide,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | 3939.5 | Semi standard non polar | 33892256 | Oxazepam glucuronide,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC1=NC2=CC=C(Cl)C=C2C(C2=CC=CC=C2)=NC1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O | 3956.7 | Semi standard non polar | 33892256 | Oxazepam glucuronide,3TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C | 3950.4 | Semi standard non polar | 33892256 | Oxazepam glucuronide,3TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O | 3953.7 | Semi standard non polar | 33892256 | Oxazepam glucuronide,3TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC1=NC2=CC=C(Cl)C=C2C(C2=CC=CC=C2)=NC1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | 3953.4 | Semi standard non polar | 33892256 | Oxazepam glucuronide,3TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2N=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3N=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 3951.3 | Semi standard non polar | 33892256 |
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