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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H21NO10
Molecular Weight 447.3921
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 3-(ACETYLAMINO)-3'-CARBOXY(1,1'-BIPHENYL)-2-YL

SMILES

CC(=O)NC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C(=CC=C1)C3=CC(=CC=C3)C(O)=O

InChI

InChIKey=WSNCGMGDGZPBBR-DQSYDGHTSA-N
InChI=1S/C21H21NO10/c1-9(23)22-13-7-3-6-12(10-4-2-5-11(8-10)19(27)28)17(13)31-21-16(26)14(24)15(25)18(32-21)20(29)30/h2-8,14-16,18,21,24-26H,1H3,(H,22,23)(H,27,28)(H,29,30)/t14-,15-,16+,18-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H21NO10
Molecular Weight 447.3921
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 Wed Apr 02 02:25:04 GMT 2025
Edited
by admin
on Wed Apr 02 02:25:04 GMT 2025
Record UNII
JM7943FX37
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 3-(ACETYLAMINO)-3'-CARBOXY(1,1'-BIPHENYL)-2-YL
Systematic Name English
ELTROMBOPAG METABOLITE M3
Preferred Name English
3-(ACETYLAMINO)-3'-CARBOXY(1,1'-BIPHENYL)-2-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
N-ACETYL GLUCURONIDE METABOLITE OF ELTROMBOPAG
Common Name English
Code System Code Type Description
PUBCHEM
155929071
Created by admin on Wed Apr 02 02:25:04 GMT 2025 , Edited by admin on Wed Apr 02 02:25:04 GMT 2025
PRIMARY
FDA UNII
JM7943FX37
Created by admin on Wed Apr 02 02:25:04 GMT 2025 , Edited by admin on Wed Apr 02 02:25:04 GMT 2025
PRIMARY
CAS
1395101-33-3
Created by admin on Wed Apr 02 02:25:04 GMT 2025 , Edited by admin on Wed Apr 02 02:25:04 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE