U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H23FN2O9
Molecular Weight 442.3931
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

SMILES

CN=C(c1ccc(cc1F)NC2(CCC2)C(=O)O[C@@]3([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O3)O)O)O)O

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 442.3931
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 Fri Jun 25 20:32:36 UTC 2021
Edited
by admin
on Fri Jun 25 20:32:36 UTC 2021
Record UNII
P338U3A8TB
Record Status Validated (UNII)
Record Version
  • Download
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
FDA UNII
P338U3A8TB
Created by admin on Fri Jun 25 20:32:36 UTC 2021 , Edited by admin on Fri Jun 25 20:32:36 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE