chempirical

Dimemorfan phosphate

C18H28NO4PCAS 36304-84-4353.40 g/mol

Open in Covalent MOL file
NOPHOHOOH
PhosphateTertiary amine

Properties

Molecular formula
C18H28NO4P
Molar mass
353.40 g/mol
Exact mass
353.1756 Da
Melting point
267–269 °C
logP
2.75Crippen estimate
Polar surface area
81.0 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
0
Stereocentres
S, S, Sin SMILES atom order

Identifiers

CAS number
36304-84-4
SMILES
Cc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3.O=P(O)(O)O
InChIKey
ODJHDWLIOUGPPA-URVXVIKDSA-N
InChI
InChI=1S/C18H25N.H3O4P/c1-13-6-7-14-12-17-15-5-3-4-8-18(15,16(14)11-13)9-10-19(17)2;1-5(2,3)4/h6-7,11,15,17H,3-5,8-10,12H2,1-2H3;(H3,1,2,3,4)/t15-,17+,18+;/m1./s1

Weigh it out

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

Names and synonyms

3 names
  • Morphinan, 3,17-dimethyl-, (9α,13α,14α)-, phosphate (1:1)
  • AT 17
  • Astomin

Work with Dimemorfan phosphate

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

Dextromethorphan125-71-360 % similar Dextromethorphan hydrobromide monohydrate6700-34-155 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook