.DELTA.4-ABIRATERONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H29NO
Molecular Weight	347.4932
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC=C(C3=CN=CC=C3)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])CCC5=CC(=O)CC[C@]45C

InChI

InChIKey=GYJZZAJJENTSTP-NHFPKVKZSA-N

InChI=1S/C24H29NO/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/h3-4,7,13-15,19,21-22H,5-6,8-12H2,1-2H3/t19-,21-,22-,23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H29NO
Molecular Weight	347.4932
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:12:01 UTC 2023` Edited by `admin` on `Sat Dec 16 18:12:01 UTC 2023`
Record UNII	Z2L6XS2R7H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.DELTA.4-ABIRATERONE

Common Name

English

ANDROSTA-4,16-DIEN-3-ONE, 17-(3-PYRIDINYL)-

Systematic Name

English

(8R,9S,10R,13S,14S)-10,13-dimethyl-17-(pyridin-3-yl)-1,2,6,7,8,9,10,11,12,13,14,15-dodecahydro-3H-cyclopenta[a]phenanthren-3-one

Systematic Name

English

CB-7627

Code

English

17-(3-PYRIDINYL)ANDROSTA-4,16-DIEN-3-ONE

Systematic Name

English

Code System Code Type Description

FDA UNII

Z2L6XS2R7H