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Details

Stereochemistry EPIMERIC
Molecular Formula C20H27N3O9
Molecular Weight 453.4431
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-((.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)-2-(4-ISOPROPYL-4-METHYL-5-OXO-2-IMIDAZOLIN-2-YL)NICOTINIC ACID

SMILES

CC(C)C1(C)N=C(NC1=O)C2=C(C=C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=N2)C(O)=O

InChI

InChIKey=YYCWLOSSRKXBSC-DLIFEIRTSA-N
InChI=1S/C20H27N3O9/c1-8(2)20(3)19(30)22-16(23-20)12-10(17(28)29)4-9(5-21-12)7-31-18-15(27)14(26)13(25)11(6-24)32-18/h4-5,8,11,13-15,18,24-27H,6-7H2,1-3H3,(H,28,29)(H,22,23,30)/t11-,13-,14+,15-,18-,20?/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3-PYRIDINECARBOXYLIC ACID, 2-(4,5-DIHYDRO-4-METHYL-4-(1-METHYLETHYL)-5-OXO-1H-IMIDAZOL-2-YL)-5-((.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)-
Preferred Name English
5-((.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)-2-(4-ISOPROPYL-4-METHYL-5-OXO-2-IMIDAZOLIN-2-YL)NICOTINIC ACID
Common Name English
Code System Code Type Description
FDA UNII
U956M4879S
Created by admin on Mon Mar 31 18:36:49 GMT 2025 , Edited by admin on Mon Mar 31 18:36:49 GMT 2025
PRIMARY
PUBCHEM
86278284
Created by admin on Mon Mar 31 18:36:49 GMT 2025 , Edited by admin on Mon Mar 31 18:36:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID20905164
Created by admin on Mon Mar 31 18:36:49 GMT 2025 , Edited by admin on Mon Mar 31 18:36:49 GMT 2025
PRIMARY
CAS
200111-50-8
Created by admin on Mon Mar 31 18:36:49 GMT 2025 , Edited by admin on Mon Mar 31 18:36:49 GMT 2025
PRIMARY