Strychnine nitrate

C₂₁H₂₃N₃O₅CAS 66-32-0397.43 g/mol

Open in Covalent MOL file

Alkene Amide Ether Lactam Nitro Tertiary amine

Properties

Molecular formula: C₂₁H₂₃N₃O₅
Molar mass: 397.43 g/mol
Exact mass: 397.1638 Da
Melting point: 295 °C
logP: 1.74Crippen estimate
Polar surface area: 96.2 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 0
Stereocentres: S, R, S, R, R, Sin SMILES atom order

Hazards

Danger

H300 Fatal if swallowed97.6% of notifiers
H330 Fatal if inhaled95.2% of notifiers
H400 Very toxic to aquatic life95.2% 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

66-32-0

SMILES

O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46.O=[N+]([O-])O

InChIKey

PCGVPMHGSJFFTI-ZEYGOCRCSA-N

InChI

InChI=1S/C21H22N2O2.HNO3/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;2-1(3)4/h1-5,13,16-17,19-20H,6-11H2;(H,2,3,4)/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, nitrate (1:1)
Strychnine, mononitrate
Strychnidin-10-one, mononitrate
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 nitrate

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

Strychnine57-24-984 % similar Strychnine hydrochloride1421-86-980 % similar Strychnine sulfate60-41-377 % similar Brucine357-57-363 % similar Brucine hydrochloride5786-96-961 % similar Brucine sulfate4845-99-259 % similar Brucine sulfate heptahydrate60583-39-357 % similar Cacotheline561-20-637 % similar

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

Same formula

Fmoc-L-citrulline133174-15-9 Abexinostat783355-60-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook