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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H27NO8S
Molecular Weight 489.538
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DESMETHYLDULOXETINE-5-.BETA.-D-GLUCOPYRANOSIDURONIC ACID

SMILES

CNCC[C@H](OC1=CC=CC2=C1C=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C2)C4=CC=CS4

InChI

InChIKey=GRIXJAFEBWYBJE-ANUWOGMRSA-N
InChI=1S/C24H27NO8S/c1-25-10-9-17(18-6-3-11-34-18)32-16-5-2-4-13-12-14(7-8-15(13)16)31-24-21(28)19(26)20(27)22(33-24)23(29)30/h2-8,11-12,17,19-22,24-28H,9-10H2,1H3,(H,29,30)/t17-,19-,20-,21+,22-,24+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
N-DESMETHYLDULOXETINE-5-.BETA.-D-GLUCOPYRANOSIDURONIC ACID
Common Name English
5-((1S)-3-(METHYLAMINO)-1-(2-THIENYL)PROPOXY)-2-NAPHTHALENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
XE7RH9J8MC
Created by admin on Sat Dec 16 13:59:05 GMT 2023 , Edited by admin on Sat Dec 16 13:59:05 GMT 2023
PRIMARY
EPA CompTox
DTXSID601122207
Created by admin on Sat Dec 16 13:59:05 GMT 2023 , Edited by admin on Sat Dec 16 13:59:05 GMT 2023
PRIMARY
PUBCHEM
70685727
Created by admin on Sat Dec 16 13:59:05 GMT 2023 , Edited by admin on Sat Dec 16 13:59:05 GMT 2023
PRIMARY
CAS
741693-84-5
Created by admin on Sat Dec 16 13:59:05 GMT 2023 , Edited by admin on Sat Dec 16 13:59:05 GMT 2023
PRIMARY