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 11:47:58 UTC |
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Update Date | 2022-03-07 02:57:13 UTC |
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HMDB ID | HMDB0041919 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Lormetazepam |
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Description | Lormetazepam (INN, or methyl-lorazepam, is a drug which is a short to intermediate acting 3-hydroxy benzodiazepine derivative. It possesses hypnotic, anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. Lormetazepam is considered a hypnotic benzodiazepine and is officially indicated for moderate to severe insomnia. Lormetazepam is a short-acting benzodiazepine and is sometimes used in patients who have difficulty in maintaining sleep or falling asleep. Hypnotics should only be used on a short-term basis or, in those with chronic insomnia, on an occasional basis. |
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Structure | CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1Cl InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3 |
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Synonyms | Value | Source |
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(+-)-Lorazepam | ChEBI | 7-Chloro-5-(2-chlorophenyl)-3-hydroxy-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one | ChEBI | 7-Chloro-5-(O-chlorophenyl)-1,3-dihydro-3-hydroxy-1-methyl-2H-1,4-benzodiazepin-2-one | ChEBI | Loramet | ChEBI | Lorazepam | ChEBI | Lormetazepamum | ChEBI | Methyllorazepam | ChEBI | N-Methyllorazepam | ChEBI | O-Chlorooxazepam | ChEBI | O-Chloroxazepam | ChEBI | ()-Lorazepam | HMDB | 7-chloro-5-(2-Chlorophenyl)-3-hydroxy-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one | HMDB | Ergocalm | HMDB | Noctamid | HMDB | Noctamide | HMDB |
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Chemical Formula | C16H12Cl2N2O2 |
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Average Molecular Weight | 335.185 |
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Monoisotopic Molecular Weight | 334.027583052 |
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IUPAC Name | 7-chloro-5-(2-chlorophenyl)-3-hydroxy-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one |
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Traditional Name | lormetazepam |
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CAS Registry Number | 848-75-9 |
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SMILES | CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1Cl |
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InChI Identifier | InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3 |
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InChI Key | FJIKWRGCXUCUIG-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Benzodiazepines |
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Sub Class | 1,4-benzodiazepines |
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Direct Parent | 1,4-benzodiazepines |
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Alternative Parents | |
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Substituents | - 1,4-benzodiazepine
- Alpha-amino acid or derivatives
- Chlorobenzene
- Halobenzene
- Aryl chloride
- Aryl halide
- Monocyclic benzene moiety
- Benzenoid
- Tertiary carboxylic acid amide
- Carboxamide group
- Ketimine
- Lactam
- Alkanolamine
- Carboxylic acid derivative
- Azacycle
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Imine
- Organic oxygen compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Carbonyl group
- Organic oxide
- Organopnictogen compound
- Organooxygen compound
- Organohalogen compound
- Organochloride
- Organonitrogen compound
- 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 | |
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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 | 206 °C | 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 | Experimental Collision Cross SectionsAdduct Type | Data Source | CCS Value (Å2) | Reference |
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[M+H]+ | CBM | 169.5 | 30932474 |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatized |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental GC-MS | GC-MS Spectrum - Lormetazepam EI-B (Non-derivatized) | splash10-0a4i-1219000000-503deaa645713d28cd79 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Lormetazepam EI-B (Non-derivatized) | splash10-0a4i-1219000000-503deaa645713d28cd79 | 2018-05-18 | HMDB team, MONA, MassBank | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Lormetazepam GC-MS (Non-derivatized) - 70eV, Positive | splash10-00or-1795000000-54ec577d366419e67a57 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Lormetazepam GC-MS (1 TMS) - 70eV, Positive | splash10-00dr-9327000000-b97471e8ca7fa14dc66e | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Lormetazepam GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Lormetazepam GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | MS | Mass Spectrum (Electron Ionization) | splash10-0a4i-2739000000-db8dc59f3b0cd2b1f961 | 2014-09-20 | Not Available | 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 - Lormetazepam 10V, Positive-QTOF | splash10-000i-0029000000-b740d967344307057276 | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Lormetazepam 20V, Positive-QTOF | splash10-000i-0229000000-85f6cd437be844945454 | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Lormetazepam 40V, Positive-QTOF | splash10-000l-1930000000-5956d587779e5dd037d0 | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Lormetazepam 10V, Negative-QTOF | splash10-001i-0009000000-f8c21520624f2329615b | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Lormetazepam 20V, Negative-QTOF | splash10-0059-0395000000-294d5b2fafa29dcbd1ab | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Lormetazepam 40V, Negative-QTOF | splash10-0bvi-5592000000-60b8f74cbf9e0379ec5c | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Lormetazepam 10V, Positive-QTOF | splash10-000i-0029000000-5de67bfbe23ce4a7f6ba | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Lormetazepam 20V, Positive-QTOF | splash10-002r-0069000000-a5d15166483d3298eae0 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Lormetazepam 40V, Positive-QTOF | splash10-03fr-0290000000-81ca3eb9e5b8757a9575 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Lormetazepam 10V, Negative-QTOF | splash10-001j-0079000000-7a1a623dc11cf39fac8e | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Lormetazepam 20V, Negative-QTOF | splash10-001j-3096000000-66c851b8c2851ab6f2f7 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Lormetazepam 40V, Negative-QTOF | splash10-001i-9141000000-2888eb8630631357a90b | 2021-09-25 | Wishart Lab | View Spectrum |
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