Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-06 15:16:50 UTC |
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Update Date | 2022-03-07 02:51:45 UTC |
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HMDB ID | HMDB0014818 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Moricizine |
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Description | Moricizine, also known as moracizina or ethmozin, belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring. Moricizine is a drug which is used to treat irregular heartbeats (arrhythmias) and maintain a normal heart rate. Based on a literature review a significant number of articles have been published on Moricizine. |
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Structure | CCOC(=O)NC1=CC2=C(SC3=CC=CC=C3N2C(=O)CCN2CCOCC2)C=C1 InChI=1S/C22H25N3O4S/c1-2-29-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)30-20)21(26)9-10-24-11-13-28-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27) |
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Synonyms | Value | Source |
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[10-(3-Morpholin-4-yl-propionyl)-10H-phenothiazin-2-yl]-carbamic acid ethyl ester | ChEBI | EN-313 | ChEBI | Ethyl 10-(3-morpholinopropionyl)phenothiazine-2-carbamate | ChEBI | Ethyl 10-(beta-N-morpholinylpropionyl)phenothiazine-2-carbamate | ChEBI | Moracizina | ChEBI | Moracizine | ChEBI | Moracizinum | ChEBI | [10-(3-Morpholin-4-yl-propionyl)-10H-phenothiazin-2-yl]-carbamate ethyl ester | Generator | Ethyl 10-(3-morpholinopropionyl)phenothiazine-2-carbamic acid | Generator | Ethyl 10-(b-N-morpholinylpropionyl)phenothiazine-2-carbamate | Generator | Ethyl 10-(b-N-morpholinylpropionyl)phenothiazine-2-carbamic acid | Generator | Ethyl 10-(beta-N-morpholinylpropionyl)phenothiazine-2-carbamic acid | Generator | Ethyl 10-(β-N-morpholinylpropionyl)phenothiazine-2-carbamate | Generator | Ethyl 10-(β-N-morpholinylpropionyl)phenothiazine-2-carbamic acid | Generator | Hydrochloride, moricizine | HMDB | Moracizin | HMDB | Ethmozin | HMDB | Ethmozine | HMDB | Etmozin | HMDB | Moricizine hydrochloride | HMDB |
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Chemical Formula | C22H25N3O4S |
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Average Molecular Weight | 427.517 |
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Monoisotopic Molecular Weight | 427.156576993 |
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IUPAC Name | ethyl N-{10-[3-(morpholin-4-yl)propanoyl]-10H-phenothiazin-2-yl}carbamate |
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Traditional Name | moricizine |
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CAS Registry Number | 31883-05-3 |
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SMILES | CCOC(=O)NC1=CC2=C(SC3=CC=CC=C3N2C(=O)CCN2CCOCC2)C=C1 |
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InChI Identifier | InChI=1S/C22H25N3O4S/c1-2-29-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)30-20)21(26)9-10-24-11-13-28-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27) |
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InChI Key | FUBVWMNBEHXPSU-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Benzothiazines |
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Sub Class | Phenothiazines |
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Direct Parent | Phenothiazines |
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Alternative Parents | |
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Substituents | - Phenothiazine
- Beta amino acid or derivatives
- Diarylthioether
- Aryl thioether
- Para-thiazine
- Morpholine
- Oxazinane
- Benzenoid
- Tertiary carboxylic acid amide
- Amino acid or derivatives
- Carboxamide group
- Tertiary amine
- Tertiary aliphatic amine
- Carboximidic acid derivative
- Carboxylic acid derivative
- Dialkyl ether
- Ether
- Oxacycle
- Azacycle
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Thioether
- Organic oxygen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Organooxygen compound
- Organopnictogen compound
- Carbonyl group
- Organic nitrogen compound
- Organic oxide
- Amine
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | |
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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 | 156 - 157 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 0.034 g/L | Not Available | LogP | 2.3 | 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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Moricizine,1TMS,isomer #1 | CCOC(=O)N(C1=CC=C2SC3=CC=CC=C3N(C(=O)CCN3CCOCC3)C2=C1)[Si](C)(C)C | 3500.7 | Semi standard non polar | 33892256 | Moricizine,1TMS,isomer #1 | CCOC(=O)N(C1=CC=C2SC3=CC=CC=C3N(C(=O)CCN3CCOCC3)C2=C1)[Si](C)(C)C | 3293.8 | Standard non polar | 33892256 | Moricizine,1TMS,isomer #1 | CCOC(=O)N(C1=CC=C2SC3=CC=CC=C3N(C(=O)CCN3CCOCC3)C2=C1)[Si](C)(C)C | 4868.3 | Standard polar | 33892256 | Moricizine,1TBDMS,isomer #1 | CCOC(=O)N(C1=CC=C2SC3=CC=CC=C3N(C(=O)CCN3CCOCC3)C2=C1)[Si](C)(C)C(C)(C)C | 3689.1 | Semi standard non polar | 33892256 | Moricizine,1TBDMS,isomer #1 | CCOC(=O)N(C1=CC=C2SC3=CC=CC=C3N(C(=O)CCN3CCOCC3)C2=C1)[Si](C)(C)C(C)(C)C | 3498.1 | Standard non polar | 33892256 | Moricizine,1TBDMS,isomer #1 | CCOC(=O)N(C1=CC=C2SC3=CC=CC=C3N(C(=O)CCN3CCOCC3)C2=C1)[Si](C)(C)C(C)(C)C | 4864.7 | Standard polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Moricizine GC-MS (Non-derivatized) - 70eV, Positive | splash10-0inc-3369000000-87e2c170cd925eacc845 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Moricizine GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Moricizine GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Moricizine 10V, Positive-QTOF | splash10-004i-2248900000-a5de342702a58418f8c4 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Moricizine 20V, Positive-QTOF | splash10-0udi-3549100000-266e9a246027e8b95b07 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Moricizine 40V, Positive-QTOF | splash10-0ap1-4961000000-43e99c8298fe409d473e | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Moricizine 10V, Negative-QTOF | splash10-001i-2009200000-0195601e60bc1db3b119 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Moricizine 20V, Negative-QTOF | splash10-0040-4094000000-6715c6954f74a1830093 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Moricizine 40V, Negative-QTOF | splash10-000l-9012000000-a2460f3acdec07cd438f | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Moricizine 10V, Positive-QTOF | splash10-004i-0000900000-4f7fe3392a48ff173951 | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Moricizine 20V, Positive-QTOF | splash10-0h00-0615900000-d12c7aeadb2d6faff15d | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Moricizine 40V, Positive-QTOF | splash10-03k9-9712100000-514a90132022cf7fb820 | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Moricizine 10V, Negative-QTOF | splash10-004i-0001900000-ed776a386df0a192a5fd | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Moricizine 20V, Negative-QTOF | splash10-003s-0069500000-4387687d4d41878cc734 | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Moricizine 40V, Negative-QTOF | splash10-014i-0091000000-a3e07fd29f6979b45155 | 2021-10-11 | Wishart Lab | View Spectrum |
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