(1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrochloride

• ChemBase ID: 312937
• Molecular Formular: C11H15Cl2N
• Molecular Mass: 232.1495
• Monoisotopic Mass: 231.05815485
• SMILES: C1NC[C@@H](c2c(C1)ccc(c2)Cl)C.Cl
• Canonical SMILES: Clc1ccc2c(c1)[C@@H](C)CNCC2.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,4-5,7H2,1H3;1H/t8-;/m0./s1
• InChIKey: ITIHHRMYZPNGRC-QRPNPIFTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrochloride
• IUPAC Traditional name: lorcaserin hydrochloride
• Synonyms: APD-356; Lorcaserin HCl

Database IDs

• CAS Number: 846589-98-8

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.39512655
• LogD (pH = 7.4): 0.2210465
• Log P: 2.829162
• Molar Refractivity: 56.647 cm^3
• Polarizability: 22.035494 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: 5-HT Receptor

Product Information

• Salt Data: HCl