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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H31NO3
Molecular Weight 405.5292
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-KETOABIRATERONE ACETATE

SMILES

[H][C@@]12CC=C(C3=CN=CC=C3)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])C(=O)C=C5C[C@H](CC[C@]45C)OC(C)=O

InChI

InChIKey=FQBUSWIVMLHLIY-HMMDQRRVSA-N
InChI=1S/C26H31NO3/c1-16(28)30-19-8-10-25(2)18(13-19)14-23(29)24-21-7-6-20(17-5-4-12-27-15-17)26(21,3)11-9-22(24)25/h4-6,12,14-15,19,21-22,24H,7-11,13H2,1-3H3/t19-,21-,22-,24-,25-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H31NO3
Molecular Weight 405.5292
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 10:27:31 UTC 2023
Edited
by admin
on Sat Dec 16 10:27:31 UTC 2023
Record UNII
N6E4WK3ZMF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-KETOABIRATERONE ACETATE
Common Name English
7-KETOABIRATERONE ACETATE [USP IMPURITY]
Common Name English
ANDROSTA-5,16-DIEN-7-ONE, 3-(ACETYLOXY)-17-(3-PYRIDINYL)-, (3.BETA.)-
Systematic Name English
7-OXO-17-(PYRIDIN-3-YL)ANDROSTA-5,16-DIEN-3.BETA.-YL ACETATE
Systematic Name English
Code System Code Type Description
CAS
2410075-48-6
Created by admin on Sat Dec 16 10:27:31 UTC 2023 , Edited by admin on Sat Dec 16 10:27:31 UTC 2023
PRIMARY
FDA UNII
N6E4WK3ZMF
Created by admin on Sat Dec 16 10:27:31 UTC 2023 , Edited by admin on Sat Dec 16 10:27:31 UTC 2023
PRIMARY
PUBCHEM
139210866
Created by admin on Sat Dec 16 10:27:31 UTC 2023 , Edited by admin on Sat Dec 16 10:27:31 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY