Strychnine hydrochloride

C₂₁H₂₃ClN₂O₂CAS 1421-86-9370.88 g/mol

Open in Covalent MOL file

Alkene Amide Ether Lactam Tertiary 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 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 swallowed100% of notifiers
H330 Fatal if inhaled100% of notifiers
H400 Very toxic to aquatic life97.6% of notifiers
H410 Very toxic to aquatic life with long lasting effects95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P271, P273, P284, P301+P316, P304+P340, P316, P320, P321, P330, P391, P403+P233, P405, P501

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

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.

Strychnine57-24-9Free base Strychnine sulfate60-41-3Salt Strychnine nitrate66-32-0Salt

Similar compounds

Brucine hydrochloride5786-96-975 % similar Brucine357-57-372 % similar Brucine dihydrate145428-94-069 % 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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