N-OXIDE ABIRATERONE SULFATE

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

Structure Search

SMILES

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OS(O)(=O)=O)[C@@H]1CC=C2C5=C[N+]([O-])=CC=C5

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 `Mon Mar 31 22:44:18 GMT 2025` Edited by `admin` on `Mon Mar 31 22:44:18 GMT 2025`
Record UNII	17QH3E7BV9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Preferred Name

English

N-OXIDE ABIRATERONE SULFATE

Common Name

English

ABIRATERONE METABOLITE M7

Common Name

English

Code System Code Type Description

FDA UNII

17QH3E7BV9

Created by admin on Mon Mar 31 22:44:18 GMT 2025 , Edited by admin on Mon Mar 31 22:44:18 GMT 2025

PRIMARY

PUBCHEM

91826892

Created by admin on Mon Mar 31 22:44:18 GMT 2025 , Edited by admin on Mon Mar 31 22:44:18 GMT 2025

PRIMARY

Related Record Type Details


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ABIRATERONE

PARENT -> METABOLITE INACTIVE