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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H23NO10
Molecular Weight 461.4187
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RO-48-2485-(3-O-.BETA.,D-GLUCURONIDE)

SMILES

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

InChI

InChIKey=DGKWLJHUDSLAAU-SXFAUFNYSA-N
InChI=1S/C22H23NO10/c1-9-3-5-11(6-4-9)15(25)12-7-13(23-10(2)24)16(26)14(8-12)32-22-19(29)17(27)18(28)20(33-22)21(30)31/h3-8,17-20,22,26-29H,1-2H3,(H,23,24)(H,30,31)/t17-,18-,19+,20-,22+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
RO-48-2485-(3-O-.BETA.,D-GLUCURONIDE)
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 3-(ACETYLAMINO)-2-HYDROXY-5-(4-METHYLBENZOYL)PHENYL
Systematic Name English
Code System Code Type Description
PUBCHEM
91810643
Created by admin on Sat Dec 16 09:48:30 GMT 2023 , Edited by admin on Sat Dec 16 09:48:30 GMT 2023
PRIMARY
CAS
254902-31-3
Created by admin on Sat Dec 16 09:48:30 GMT 2023 , Edited by admin on Sat Dec 16 09:48:30 GMT 2023
PRIMARY
FDA UNII
893N30363M
Created by admin on Sat Dec 16 09:48:30 GMT 2023 , Edited by admin on Sat Dec 16 09:48:30 GMT 2023
PRIMARY