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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H31NO5S
Molecular Weight 445.572
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-OXIDE ABIRATERONE SULFATE

SMILES

[H][C@@]12CC=C(C3=CC=C[N+]([O-])=C3)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])CC=C5C[C@H](CC[C@]45C)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 445.572
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 Thu Jul 06 15:04:43 UTC 2023
Edited
by admin
on Thu Jul 06 15:04:43 UTC 2023
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 Thu Jul 06 15:04:43 UTC 2023 , Edited by admin on Thu Jul 06 15:04:43 UTC 2023
PRIMARY
PUBCHEM
91826892
Created by admin on Thu Jul 06 15:04:43 UTC 2023 , Edited by admin on Thu Jul 06 15:04:43 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
MAJOR
PLASMA; URINE