Strychnine

C₂₁H₂₂N₂O₂CAS 57-24-9334.42 g/mol

Open in Covalent MOL file

Alkene Amide Ether Lactam Tertiary 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)
pKa: 8.26 (25 °C)
Water solubility: 160 mg/L (25 °C)
logP: 2.09Crippen estimate
Polar surface area: 32.8 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0
Stereocentres: S, R, S, R, R, Sin SMILES atom order

Hazards

Danger

H300 Fatal if swallowedAcute toxicity, oral
H310 Fatal in contact with skinAcute toxicity, dermal
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 614-003-00-5), via PubChem.

Precautionary statements

P262, P264, P270, P273, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P391, P405, P501

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Strychnine sulfate60-41-3Salt Strychnine nitrate66-32-0Salt Strychnine hydrochloride1421-86-9Salt

Similar compounds

Brucine357-57-372 % similar Brucine hydrochloride5786-96-970 % similar Brucine dihydrate145428-94-069 % 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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