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CHEBI:233239 - strychnine sulfate

ChEBI IDCHEBI:233239
ChEBI Namestrychnine sulfate
Stars
SubmitterFlyBase
DownloadsMolfile
Formula2C21H22N2O2.H2O4S
Net Charge0
Average Mass766.917
Monoisotopic Mass766.30364
SMILESO=S(=O)(O)O.[H][C@@]12N3C(=O)C[C@]4([H])OCC=C5CN6CC[C@@]1(c1ccccc13)[C@]6([H])C[C@]5([H])[C@]24[H].[H][C@@]12N3C(=O)C[C@]4([H])OCC=C5CN6CC[C@@]1(c1ccccc13)[C@]6([H])C[C@]5([H])[C@]24[H]
InChIInChI=1S/2C21H22N2O2.H2O4S/c2*24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;1-5(2,3)4/h2*1-5,13,16-17,19-20H,6-11H2;(H2,1,2,3,4)/t2*13-,16-,17-,19-,20-,21+;/m00./s1
InChIKeyGOOCRIHPADOQAS-ZNUXJMJHSA-N
Roles Classification
Biological Role:
poison  Any substance that causes disturbance to organisms by chemical reaction or other activity on the molecular scale, when a sufficient quantity is absorbed by the organism.
ChEBI Ontology
Outgoing Relation(s)
strychnine sulfate (CHEBI:233239) has functional parent strychnine (CHEBI:28973)
strychnine sulfate (CHEBI:233239) has role poison (CHEBI:64909)
strychnine sulfate (CHEBI:233239) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;sulfuric acid
Synonym  Source
strychnine hemisulfate saltSUBMITTER
Registry NumbersSources
CAS:60-41-3SUBMITTER
Citations