3-DEOXY-3-ACETYL ABIRATERONE-3-ENE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C26H33NO
Molecular Weight	375.5463
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-DEOXY-3-ACETYL ABIRATERONE-3-ENE

Structure Search

SMILES

[H][C@@]12CC=C(C3=CN=CC=C3)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])CC=C5CC(CC[C@]45C)C(C)=O

InChI

InChIKey=UAGUPKOGAAVASF-GUXPWDQMSA-N

InChI=1S/C26H33NO/c1-17(28)18-10-12-25(2)20(15-18)6-7-21-23-9-8-22(19-5-4-14-27-16-19)26(23,3)13-11-24(21)25/h4-6,8,14,16,18,21,23-24H,7,9-13,15H2,1-3H3/t18?,21-,23-,24-,25-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H33NO
Molecular Weight	375.5463
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:54:19 GMT 2023` Edited by `admin` on `Sat Dec 16 18:54:19 GMT 2023`
Record UNII	6974S6BUG9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-DEOXY-3-ACETYL ABIRATERONE-3-ENE

Common Name

English

3-DEOXY-3-ACETYL ABIRATERONE-3-ENE [USP IMPURITY]

Common Name

English

ETHANONE, 1-(17-(3-PYRIDINYL)ANDROSTA-5,16-DIEN-3-YL)-

Systematic Name

English

1-(17-(PYRIDIN-3-YL)ANDROSTA-3,5,16-TRIEN-3-YL)ETHENONE

Systematic Name

English

Code System Code Type Description

PUBCHEM

156596506

Created by admin on Sat Dec 16 18:54:20 GMT 2023 , Edited by admin on Sat Dec 16 18:54:20 GMT 2023

PRIMARY

FDA UNII

6974S6BUG9

Created by admin on Sat Dec 16 18:54:20 GMT 2023 , Edited by admin on Sat Dec 16 18:54:20 GMT 2023

PRIMARY

CAS

2484719-12-0

Created by admin on Sat Dec 16 18:54:20 GMT 2023 , Edited by admin on Sat Dec 16 18:54:20 GMT 2023

PRIMARY

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