chempirical

Dextromethorphan

C18H25NOCAS 125-71-3271.40 g/mol

Open in Covalent MOL file
ON
EtherTertiary amine

Properties

Molecular formula
C18H25NO
Molar mass
271.40 g/mol
Exact mass
271.1936 Da
Melting point
80 °C
Water solubility
practically insoluble
logP
3.38Crippen estimate
Polar surface area
12.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1
Stereocentres
S, S, Sin SMILES atom order

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 77 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
125-71-3
SMILES
COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3
InChIKey
MKXZASYAUGDDCJ-NJAFHUGGSA-N
InChI
InChI=1S/C18H25NO/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/t15-,17+,18+/m1/s1

Weigh it out

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

Names and synonyms

10 names
  • Morphinan, 3-methoxy-17-methyl-, (9α,13α,14α)-
  • 9α,13α,14α-Morphinan, 3-methoxy-17-methyl-
  • (9α,13α,14α)-3-Methoxy-17-methylmorphinan
  • d-Methorphan
  • Ba 2666
  • (+)-3-Methoxy-17-methylmorphinan
  • Nodex
  • DEX
  • (+)-Dextromethorphan
  • 3-Methoxy-17-methyl-9α,13α,14α-morphinan

Work with Dextromethorphan

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

Dextromethorphan hydrobromide monohydrate6700-34-188 % similar Dimemorfan phosphate36304-84-460 % similar Sinomenine115-53-736 % similar Sinomenine hydrochloride6080-33-735 % similar Tramadol27203-92-533 % similar 2-Amino-7-methoxytetralin4003-89-833 % similar Tramadol hydrochloride22204-88-232 % similar 5-Methoxy-N,N-dimethyltryptamine1019-45-032 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook