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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H15F2N3O8
Molecular Weight 415.3024
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-(1-((2,6-DIFLUOROPHENYL)METHYL)-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE)

SMILES

O[C@H]1[C@H](OC(=O)C2=CN(CC3=C(F)C=CC=C3F)N=N2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI

InChIKey=IFDYWWLUYKLHKC-DJUFWWRVSA-N
InChI=1S/C16H15F2N3O8/c17-7-2-1-3-8(18)6(7)4-21-5-9(19-20-21)15(27)29-16-12(24)10(22)11(23)13(28-16)14(25)26/h1-3,5,10-13,16,22-24H,4H2,(H,25,26)/t10-,11-,12+,13-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H15F2N3O8
Molecular Weight 415.3024
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 Sat Dec 16 18:02:22 GMT 2023
Edited
by admin
on Sat Dec 16 18:02:22 GMT 2023
Record UNII
Y6SVR6RVU4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANURONIC ACID, 1-(1-((2,6-DIFLUOROPHENYL)METHYL)-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE)
Systematic Name English
CGP 47292-.BETA.-D-GLUCURONIDE
Common Name English
1-.BETA.-D-GLUCURONIDE OF CGP 47292
Common Name English
Code System Code Type Description
PUBCHEM
118753354
Created by admin on Sat Dec 16 18:02:23 GMT 2023 , Edited by admin on Sat Dec 16 18:02:23 GMT 2023
PRIMARY
CAS
1520120-84-6
Created by admin on Sat Dec 16 18:02:23 GMT 2023 , Edited by admin on Sat Dec 16 18:02:23 GMT 2023
PRIMARY
FDA UNII
Y6SVR6RVU4
Created by admin on Sat Dec 16 18:02:23 GMT 2023 , Edited by admin on Sat Dec 16 18:02:23 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
URINE