U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22N2O2.C5H10O2
Molecular Weight 436.5433
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of STRYCHNINE VALERATE

SMILES

CCCCC(O)=O.[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C7=C(C=CC=C7)[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H]

InChI

InChIKey=WDFVBOJTZYGIHF-ZEYGOCRCSA-N
InChI=1S/C21H22N2O2.C5H10O2/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;1-2-3-4-5(6)7/h1-5,13,16-17,19-20H,6-11H2;2-4H2,1H3,(H,6,7)/t13-,16-,17-,19-,20-,21+;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
STRYCHNINE VALERATE
Common Name English
STRYCHNIDIN-10-ONE VALERATE
Common Name English
(4BR,7AS,8AR,13S,13AR,13BS)-5,6,7A,8,8A,11,13A,13B-OCTAHYDRO-13H-13,14-ETHANO-7,9-METHANOOXEPINO(3,4-A)PYRROLO(2,3-D)CARBAZOL-15-ONE VALERATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C737
Created by admin on Fri Dec 15 15:36:58 GMT 2023 , Edited by admin on Fri Dec 15 15:36:58 GMT 2023
Code System Code Type Description
CAS
6101-07-1
Created by admin on Fri Dec 15 15:36:58 GMT 2023 , Edited by admin on Fri Dec 15 15:36:58 GMT 2023
PRIMARY
ChEMBL
CHEMBL227934
Created by admin on Fri Dec 15 15:36:58 GMT 2023 , Edited by admin on Fri Dec 15 15:36:58 GMT 2023
PRIMARY
NCI_THESAURUS
C95054
Created by admin on Fri Dec 15 15:36:58 GMT 2023 , Edited by admin on Fri Dec 15 15:36:58 GMT 2023
PRIMARY
PUBCHEM
21155864
Created by admin on Fri Dec 15 15:36:58 GMT 2023 , Edited by admin on Fri Dec 15 15:36:58 GMT 2023
PRIMARY
FDA UNII
L64K0BL9AU
Created by admin on Fri Dec 15 15:36:58 GMT 2023 , Edited by admin on Fri Dec 15 15:36:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID90976487
Created by admin on Fri Dec 15 15:36:58 GMT 2023 , Edited by admin on Fri Dec 15 15:36:58 GMT 2023
PRIMARY