chempirical

Strychnine

C21H22N2O2CAS 57-24-9334.42 g/mol

Open in Covalent MOL file
OONN
AlkeneAmideEtherLactamTertiary amine

Properties

Molecular formula
C21H22N2O2
Molar mass
334.42 g/mol
Exact mass
334.1681 Da
Density
1.36 g/mL (at 20 °C)
Melting point
287 °C
Boiling point
270 °C (at 5 Torr)
logP
2.09Crippen 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
57-24-9
SMILES
O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46
InChIKey
QMGVPVSNSZLJIA-FVWCLLPLSA-N
InChI
InChI=1S/C21H22N2O2/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/t13-,16-,17-,19-,20-,21+/m0/s1

Weigh it out

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

Names and synonyms

6 names
  • Strychnidin-10-one
  • 4,6-Methano-6H,14H-indolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline, strychnidin-10-one deriv.
  • Strychnin
  • (-)-Strychnine
  • NSC 5365
  • Certox

Work with Strychnine

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

Strychnine hydrochloride1421-86-995 % similar Strychnine sulfate60-41-388 % similar Brucine357-57-372 % similar Brucine hydrochloride5786-96-970 % similar Brucine sulfate4845-99-265 % similar Brucine sulfate heptahydrate60583-39-363 % similar Cacotheline561-20-634 % similar

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

Same formula

(S,S)-2,2-Bis(4-phenyl-2-oxazolin-2-yl)propane131457-46-0 (R,R)-2,2'-(Dimethylmethylene)bis(4-phenyl-2-oxazoline)150529-93-4

Elsewhere

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