3-KETO-5.ALPHA.-ABIRATERONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H31NO
Molecular Weight	349.509
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-KETO-5.ALPHA.-ABIRATERONE

Structure Search

SMILES

[H][C@@]12CC=C(C3=CN=CC=C3)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])CC[C@@]5([H])CC(=O)CC[C@]45C

InChI

InChIKey=FKNZCFYWNHCQGE-IRMBCWQZSA-N

InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13,15,17,19,21-22H,5-6,8-12,14H2,1-2H3/t17-,19-,21-,22-,23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H31NO
Molecular Weight	349.509
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:09:00 UTC 2023` Edited by `admin` on `Sat Dec 16 19:09:00 UTC 2023`
Record UNII	675L8BAG4G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-KETO-5.ALPHA.-ABIRATERONE

Common Name

English

ANDROST-16-EN-3-ONE, 17-(3-PYRIDINYL)-, (5.ALPHA.)-

Systematic Name

English

(5.ALPHA.)-17-(3-PYRIDINYL)ANDROST-16-EN-3-ONE

Systematic Name

English

Code System Code Type Description

FDA UNII

675L8BAG4G