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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H33NO3
Molecular Weight 407.5451
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Abiraterone acetate N-oxide

SMILES

CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C5=CC=C[N+]([O-])=C5)[C@@H]3CC=C2C1

InChI

InChIKey=RHLDSCIZFATDAW-UBUQANBQSA-N
InChI=1S/C26H33NO3/c1-17(28)30-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27(29)16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H33NO3
Molecular Weight 407.5451
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 Wed Apr 02 19:47:25 GMT 2025
Edited
by admin
on Wed Apr 02 19:47:25 GMT 2025
Record UNII
7Q76X96JMR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Abiraterone acetate N-oxide
Common Name English
Androsta-5,16-dien-3-ol, 17-(1-oxido-3-pyridinyl)-, 3-acetate, (3?)-
Preferred Name English
Code System Code Type Description
PUBCHEM
129012014
Created by admin on Wed Apr 02 19:47:25 GMT 2025 , Edited by admin on Wed Apr 02 19:47:25 GMT 2025
PRIMARY
CAS
2517964-85-9
Created by admin on Wed Apr 02 19:47:25 GMT 2025 , Edited by admin on Wed Apr 02 19:47:25 GMT 2025
PRIMARY
FDA UNII
7Q76X96JMR
Created by admin on Wed Apr 02 19:47:25 GMT 2025 , Edited by admin on Wed Apr 02 19:47:25 GMT 2025
PRIMARY