chempirical

Strychnine hydrochloride

C21H23ClN2O2CAS 1421-86-9370.88 g/mol

Open in Covalent MOL file
HClOONN
AlkeneAmideEtherLactamTertiary amine

Properties

Molecular formula
C21H23ClN2O2
Molar mass
370.88 g/mol
Exact mass
370.1448 Da
logP
2.51Crippen estimate
Polar surface area
32.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0
Stereocentres
S, R, S, R, R, Sin SMILES atom order

Identifiers

CAS number
1421-86-9
SMILES
Cl.O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46
InChIKey
VLXYTKMPCOQKEM-ZEYGOCRCSA-N
InChI
InChI=1S/C21H22N2O2.ClH/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;/h1-5,13,16-17,19-20H,6-11H2;1H/t13-,16-,17-,19-,20-,21+;/m0./s1

Weigh it out

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

Names and synonyms

4 names
  • Strychnidin-10-one, hydrochloride (1:1)
  • Strychnine, monohydrochloride
  • Strychnidin-10-one, monohydrochloride
  • 4,6-Methano-6H,14H-indolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline, strychnidin-10-one deriv.

Work with Strychnine 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

Strychnine57-24-995 % similar Strychnine sulfate60-41-384 % similar Brucine hydrochloride5786-96-975 % similar Brucine357-57-372 % similar Brucine sulfate4845-99-265 % similar Brucine sulfate heptahydrate60583-39-362 % similar Cacotheline561-20-633 % similar

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

Elsewhere

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