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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

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 UTC 2023
Edited
by admin
on Sat Dec 16 18:54:19 UTC 2023
Record UNII
6974S6BUG9
Record Status Validated (UNII)
Record Version
  • Download
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 UTC 2023 , Edited by admin on Sat Dec 16 18:54:20 UTC 2023
PRIMARY
FDA UNII
6974S6BUG9
Created by admin on Sat Dec 16 18:54:20 UTC 2023 , Edited by admin on Sat Dec 16 18:54:20 UTC 2023
PRIMARY
CAS
2484719-12-0
Created by admin on Sat Dec 16 18:54:20 UTC 2023 , Edited by admin on Sat Dec 16 18:54:20 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY