| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 06:36:34 UTC |
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| Update Date | 2016-11-09 01:16:05 UTC |
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| Accession Number | CHEM019894 |
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| Identification |
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| Common Name | Lorcaserin |
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| Class | Small Molecule |
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| Description | A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine substituted at position 1 by a methyl group and a t position 6 by a chloro group. |
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| Contaminant Sources | - ToxCast & Tox21 Chemicals
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| (1R)-8-chloro-1-Methyl-2,3,4,5-tetrahydro-1H-3-benzazepine | MeSH | | 8-chloro-2,3,4,5-tetrahydro-1-Methyl-1H-3-benzazepine | MeSH | | APD 356 | MeSH | | APD-356 | MeSH | | AR-10a | MeSH | | Belviq | MeSH | | Lorcaserin | MeSH |
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| Chemical Formula | C11H14ClN |
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| Average Molecular Mass | 195.690 g/mol |
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| Monoisotopic Mass | 195.081 g/mol |
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| CAS Registry Number | 616202-92-7 |
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| IUPAC Name | (1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine |
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| Traditional Name | lorcaserin |
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| SMILES | C[C@H]1CNCCC2=CC=C(Cl)C=C12 |
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| InChI Identifier | InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1 |
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| InChI Key | XTTZERNUQAFMOF-QMMMGPOBSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom). |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Benzazepines |
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| Sub Class | Not Available |
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| Direct Parent | Benzazepines |
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| Alternative Parents | |
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| Substituents | - Benzazepine
- Azepine
- Aralkylamine
- Benzenoid
- Aryl halide
- Aryl chloride
- Azacycle
- Secondary amine
- Secondary aliphatic amine
- Organonitrogen compound
- Organochloride
- Organohalogen compound
- Organic nitrogen compound
- Amine
- Hydrocarbon derivative
- Organopnictogen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-0900000000-f3f1873b5b2bf0b5473d | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-0900000000-62cc16ab4cbc1fb7efe8 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0udr-2900000000-eb736704eeaf57cb311a | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-0900000000-0df2063a9e6d2434c2a1 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-0900000000-16faf6cd0a496425af4c | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-052f-9300000000-f8b3d9ab70d6a357d9de | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | DB04871 |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Lorcaserin |
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| Chemspider ID | Not Available |
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| ChEBI ID | 65353 |
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| PubChem Compound ID | 11658860 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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