N-OXIDE ABIRATERONE SULFATE

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

Structure Search

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

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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


					G819A456D0

ABIRATERONE

PARENT -> METABOLITE INACTIVE

Interaction Type:

MAJOR

Qualification:

PLASMA; URINE