chempirical

Dextromethorphan hydrobromide monohydrate

C18H28BrNO2CAS 6700-34-1370.33 g/mol

Open in Covalent MOL file
HBrONH2O
EtherTertiary amine

Properties

Molecular formula
C18H28BrNO2
Molar mass
370.33 g/mol
Exact mass
369.1303 Da
logP
3.14Crippen estimate
Polar surface area
44.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1
Stereocentres
S, S, Sin SMILES atom order

Identifiers

CAS number
6700-34-1
SMILES
Br.COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3.O
InChIKey
STTADZBLEUMJRG-IKNOHUQMSA-N
InChI
InChI=1S/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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Morphinan, 3-methoxy-17-methyl-, hydrobromide, hydrate (1:1:1), (9α,13α,14α)-
  • 9α,13α,14α-Morphinan, 3-methoxy-17-methyl-, hydrobromide, monohydrate
  • Morphinan, 3-methoxy-17-methyl-, hydrobromide, monohydrate, (9α,13α,14α)-
  • d-3-Methoxy-N-methylmorphinan hydrobromide monohydrate
  • (+)-3-Methoxy-N-methylmorphinan hydrobromide monohydrate

Work with Dextromethorphan hydrobromide monohydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dextromethorphan125-71-388 % similar Dimemorfan phosphate36304-84-455 % similar Sinomenine115-53-733 % similar Sinomenine hydrochloride6080-33-732 % similar Tramadol27203-92-531 % similar 2-Amino-7-methoxytetralin4003-89-830 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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