STRYCHNINE VALERATE

US Previously Marketed

First marketed in 1921

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 Search

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

Molecular Formula	C5H10O2
Molecular Weight	102.1317
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C21H22N2O2
Molecular Weight	334.4116
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Sourcing

Vendor/Aggregator	ID	URL
ChEMBL	CHEMBL2146317
ChemIDplus	6101071	https://chem.nlm.nih.gov/chemidplus/id/0006101071
PubChem	21155864	https://pubchem.ncbi.nlm.nih.gov/compound/21155864
Wikidata	Q27282756

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:36:58 UTC 2023` Edited by `admin` on `Fri Dec 15 15:36:58 UTC 2023`
Record UNII	L64K0BL9AU
Record Status	`Validated (UNII)`
Record Version

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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