(2S,3S,4S,5R,6S)-6-(1-(4-CARBAMOYL-3-FLUORO-ANILINO)CYCLOBUTANECARBONYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H21FN2O9
Molecular Weight	428.3657
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R,6S)-6-(1-(4-CARBAMOYL-3-FLUORO-ANILINO)CYCLOBUTANECARBONYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

NC(=O)C1=CC=C(NC2(CCC2)C(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C1F

InChI

InChIKey=BTAKTZFCGBCNPF-DJUFWWRVSA-N

InChI=1S/C18H21FN2O9/c19-9-6-7(2-3-8(9)14(20)25)21-18(4-1-5-18)17(28)30-16-12(24)10(22)11(23)13(29-16)15(26)27/h2-3,6,10-13,16,21-24H,1,4-5H2,(H2,20,25)(H,26,27)/t10-,11-,12+,13-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H21FN2O9
Molecular Weight	428.3657
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:09:45 UTC 2023` Edited by `admin` on `Sat Dec 16 16:09:45 UTC 2023`
Record UNII	T3HF86RC8H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2S,3S,4S,5R,6S)-6-(1-(4-CARBAMOYL-3-FLUORO-ANILINO)CYCLOBUTANECARBONYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

APALUTAMIDE METABOLITE M22

Common Name

English

Code System Code Type Description

PUBCHEM

156613997

Created by admin on Sat Dec 16 16:09:45 UTC 2023 , Edited by admin on Sat Dec 16 16:09:45 UTC 2023

PRIMARY

FDA UNII

T3HF86RC8H

Created by admin on Sat Dec 16 16:09:45 UTC 2023 , Edited by admin on Sat Dec 16 16:09:45 UTC 2023

PRIMARY

Related Record Type Details


					4T36H88UA7

APALUTAMIDE

PARENT -> METABOLITE

Qualification:

URINE