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The Dextromethorphan hydrobromide monohydrate, with the CAS registry number 6700-34-1, is also known as 3-Methoxy-17-methyl-9alpha,13alpha,14alpha-morphinan hydrobromide monohydrate. It belongs to the classes of Intermediates & Fine Chemicals; Pharmaceuticals. Its systematic name is called (9α,13α,14α)-3-methoxy-17-methylmorphinan hydrobromide hydrate. In addition, the molecular formula is C18H25NO.HBr.H2O. It can be used as an antitussive drug which is a white solid.
Physical properties about Dextromethorphan hydrobromide monohydrate are: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 14; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Flash Point: 247.8 °C; (13)Melting Point: 116-119 °C; (14)Enthalpy of Vaporization: 79.18 kJ/mol; (15)Boiling Point: 486.1 °C at 760 mmHg; (16)Vapour Pressure: 2.92E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Br.O.COc3ccc4C[C@@H]1N(C)CC[C@]2(CCCC[C@H]12)c4c3
(2)InChI: InChI=1/C18H25NO.BrH.H2O/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18;;/h6-7,12,15,17H,3-5,8-11H2,1-2H3;1H;1H2/t15-,17+,18+;;/m1../s1
(3)InChIKey: STTADZBLEUMJRG-IKNOHUQMBE