PREGNENOLONE CARBONITRILE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H31NO2
Molecular Weight	341.487
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@H](C#N)[C@H](C(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC=C4C[C@@H](O)CC[C@]34C

InChI

InChIKey=VSBHRRMYCDQLJF-ZDNYCOCVSA-N

InChI=1S/C22H31NO2/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,25H,5-11H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H31NO2
Molecular Weight	341.487
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Glucocorticoid receptor 172 Target ID: CHEMBL2034 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15367577 \| https://www.ncbi.nlm.nih.gov/pubmed/8863830	Antagonist 2778
Nuclear receptor subfamily 1 group I member 2 8 Target ID: CHEMBL1743244 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9489701	Agonist 2678		6.5 null [pEC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:59:23 GMT 2023` Edited by `admin` on `Sat Dec 16 07:59:23 GMT 2023`
Record UNII	BA9WH84QAJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PREGNENOLONE CARBONITRILE

Common Name

English

(3.BETA.,16.ALPHA.)-3-HYDROXY-20-OXOPREGN-5-ENE-16-CARBONITRILE

Systematic Name

English

SC-4674

Code

English

PREGN-5-ENE-16-CARBONITRILE, 3-HYDROXY-20-OXO-, (3.BETA.,16.ALPHA.)-

Systematic Name

English

5-PREGNEN-3.BETA.-OL-20-ONE-16.ALPHA.-CARBONITRILE

Systematic Name

English

SC4674

Code

English

PREGNENOLONE-16ALPHA-CARBONITRILE

Common Name

English

Code System Code Type Description

FDA UNII

BA9WH84QAJ