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| IUPAC Name: | 7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepinehydrochloride |
| Description: | (±)-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine Hydrochloride Hemihydrate is used to prepare and study structure-activity relationship of (1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-benzazepine (Lorcaserin), a selective serotonin 5-HT2C receptor agonist for the treatment of obesity. |
| Molecular Weight: | 195.69 + (36.46) |
| Molecular Formula: | C11H14ClN·HCl |
| Canonical SMILES: | CC1CNCCC2=C1C=C(C=C2)Cl.Cl |
| InChI: | InChI=1S/C11H14ClN.ClH/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H31H |
| InChI Key: | ITIHHRMYZPNGRC-UHFFFAOYSA-N |
| Melting Point: | >198°C (dec.) |
| Solubility: | Chloroform (Slightly), DMSO (Sparingly), Methanol (Slightly) |
| Appearance: | White to Off-White Solid |
| Storage: | Hygroscopic, -20°C Freezer, Under inert atmosphere |
| References: | Smith, B., et al. J. Med. Chem., 51, 305 (2008). |
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