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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H23FN2O9
Molecular Weight	442.3923
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-(3-FLUORO-4-(METHYLCARBAMOYL)ANILINO)CYCLOBUTANECARBONYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

CNC(=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=ZDUVXYINXPGBFG-LHLGERLTSA-N

InChI=1S/C19H23FN2O9/c1-21-15(26)9-4-3-8(7-10(9)20)22-19(5-2-6-19)18(29)31-17-13(25)11(23)12(24)14(30-17)16(27)28/h3-4,7,11-14,17,22-25H,2,5-6H2,1H3,(H,21,26)(H,27,28)/t11-,12-,13+,14-,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H23FN2O9
Molecular Weight	442.3923
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 16:04:37 UTC 2023` Edited by `admin` on `Sat Dec 16 16:04:37 UTC 2023`
Record UNII	P338U3A8TB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

APALUTAMIDE METABOLITE M21

Common Name

English

Code System Code Type Description

PUBCHEM

155929078

Created by admin on Sat Dec 16 16:04:38 UTC 2023 , Edited by admin on Sat Dec 16 16:04:38 UTC 2023

PRIMARY

FDA UNII

P338U3A8TB

Created by admin on Sat Dec 16 16:04:38 UTC 2023 , Edited by admin on Sat Dec 16 16:04:38 UTC 2023

PRIMARY

Related Record Type Details


					4T36H88UA7

APALUTAMIDE

PARENT -> METABOLITE

Qualification:

URINE