chempirical

Nalmefene hydrochloride

C21H26ClNO3CAS 58895-64-0375.89 g/mol

Open in Covalent MOL file
OHOHNOHCl
AlcoholAlkeneEtherPhenolTertiary amine

Properties

Molecular formula
C21H26ClNO3
Molar mass
375.89 g/mol
Exact mass
375.1601 Da
logP
2.93Crippen estimate
Polar surface area
52.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2
Stereocentres
S, R, S, Sin SMILES atom order

Identifiers

CAS number
58895-64-0
SMILES
C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl
InChIKey
GYWMRGWFQPSQLK-OPHZJPRHSA-N
InChI
InChI=1S/C21H25NO3.ClH/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13;/h4-5,13,16,19,23-24H,1-3,6-11H2;1H/t16-,19+,20+,21-;/m1./s1

Weigh it out

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

Names and synonyms

4 names
  • Morphinan-3,14-diol, 17-(cyclopropylmethyl)-4,5-epoxy-6-methylene-, hydrochloride (1:1), (5α)-
  • Morphinan-3,14-diol, 17-(cyclopropylmethyl)-4,5-epoxy-6-methylene-, hydrochloride, (5α)-
  • NIH 10365
  • Revex

Work with Nalmefene hydrochloride

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

Naltrexone hydrochloride16676-29-280 % similar Naltrexone16590-41-375 % similar Naloxone hydrochloride357-08-463 % similar Naloxone hydrochloride dihydrate51481-60-861 % similar Methylnaltrexone bromide73232-52-734 % similar Butorphanol tartrate58786-99-533 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook