chempirical

Sinomenine hydrochloride

C19H24ClNO4CAS 6080-33-7365.85 g/mol

Open in Covalent MOL file
OOOHNOHCl
AlkeneEtherKetonePhenolTertiary amine

Properties

Molecular formula
C19H24ClNO4
Molar mass
365.85 g/mol
Exact mass
365.1394 Da
Melting point
231 °C (decomposes)
logP
2.44Crippen estimate
Polar surface area
59.0 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2
Stereocentres
S, S, Rin SMILES atom order

Identifiers

CAS number
6080-33-7
SMILES
COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O.Cl
InChIKey
YMEVIMJAUHZFMW-VUIDNZEBSA-N
InChI
InChI=1S/C19H23NO4.ClH/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19;/h4-5,9,12-13,22H,6-8,10H2,1-3H3;1H/t12-,13+,19-;/m1./s1

Weigh it out

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

Names and synonyms

6 names
  • Morphinan-6-one, 7,8-didehydro-4-hydroxy-3,7-dimethoxy-17-methyl-, hydrochloride (1:1), (9α,13α,14α)-
  • 9α,13α,14α-Morphinan-6-one, 7,8-didehydro-4-hydroxy-3,7-dimethoxy-17-methyl-, hydrochloride
  • Morphinan-6-one, 7,8-didehydro-4-hydroxy-3,7-dimethoxy-17-methyl-, hydrochloride, (9α,13α,14α)-
  • Cucoline, hydrochloride
  • NSC 76021
  • Sinomenin hydrochloride

Work with Sinomenine 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

Sinomenine115-53-795 % similar Isocorydine hydrochloride13552-72-239 % similar (+)-Isocorydine475-67-235 % similar Dextromethorphan125-71-335 % similar Dextromethorphan hydrobromide monohydrate6700-34-132 % similar Rel-(4ar,8ar)-4A,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-6H-benzofuro[3A,3,2-ef][2]benzazepin-6-one1668-86-630 % similar

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

Same formula

α-[[[2-(2-Chloro-3,4-dimethoxyphenyl)ethyl]amino]methyl]-4-methoxybenzenemethanol71636-38-9

Elsewhere

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