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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H31NO5S
Molecular Weight 445.5736
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-OXIDE ABIRATERONE SULFATE

SMILES

C[C@@]12CC[C@@]([H])(CC2=CC[C@@]3([H])[C@]4([H])CC=C(c5cccn(=O)c5)[C@@]4(C)CC[C@@]31[H])OS(=O)(=O)O

InChI

InChIKey=AEEMBGRHVQPUBV-VJLLXTKPSA-N
InChI=1S/C24H31NO5S/c1-23-11-9-18(30-31(27,28)29)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25(26)15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22H,6,8-12,14H2,1-2H3,(H,27,28,29)/t18-,19-,21-,22-,23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H31NO5S
Molecular Weight 445.5736
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 Jun 26 16:35:29 UTC 2021
Edited
by admin
on Sat Jun 26 16:35:29 UTC 2021
Record UNII
17QH3E7BV9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-OXIDE ABIRATERONE SULFATE
Common Name English
3-((3S,8R,9S,10R,13S,14S)-10,13-DIMETHYL-3-(SULFOOXY)-2,3,4,7,8,9,10,11,12,13,14,15-DODECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-17-YL)PYRIDINE 1-OXIDE
Systematic Name English
ABIRATERONE METABOLITE M7
Common Name English
Code System Code Type Description
FDA UNII
17QH3E7BV9
Created by admin on Sat Jun 26 16:35:29 UTC 2021 , Edited by admin on Sat Jun 26 16:35:29 UTC 2021
PRIMARY
PUBCHEM
91826892
Created by admin on Sat Jun 26 16:35:29 UTC 2021 , Edited by admin on Sat Jun 26 16:35:29 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
MAJOR
PLASMA; URINE