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  • Name

    Dextromethorphan hydrobromide monohydrate

  • EINECS 629-741-3
  • CAS No. 6700-34-1
  • Density
  • Solubility
  • Melting Point 116-119 °C
  • Formula C18H25NO.HBr.H2O
  • Boiling Point 486.1 °C at 760 mmHg
  • Molecular Weight 370.33
  • Flash Point 247.8 °C
  • Transport Information
  • Appearance White Solid
  • Safety 7-16-36/37-45
  • Risk Codes 11-23/24/25-39/23/24/25
  • Molecular Structure Molecular Structure of 6700-34-1 (Dextromethorphan hydrobromide monohydrate)
  • Hazard Symbols F,T
  • Synonyms 9a,13a,14a-Morphinan, 3-methoxy-17-methyl-, hydrobromide, monohydrate (8CI);Morphinan, 3-methoxy-17-methyl-, hydrobromide, monohydrate, (9a,13a,14a)- (9CI);(+)-3-Methoxy-N-methylmorphinan hydrobromide monohydrate;d-3-Methoxy-N-methylmorphinanhydrobromide monohydrate;
  • PSA 21.70000
  • LogP 4.21510

Dextromethorphan hydrobromide monohydrate Specification

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

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