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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H26FN7O7
Molecular Weight 543.5043
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-DEOXY-1-(5-(((7-(1,1-DIMETHYLETHYL)-3-(2-FLUOROPHENYL)-1,2,4-TRIAZOLO(4,3-B)PYRIDAZIN-6-YL)OXY)METHYL)-1H-1,2,4-TRIAZOL-1-YL)-

SMILES

CC(C)(C)C1=CC2=NN=C(N2N=C1OCC3=NC=NN3[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C5=CC=CC=C5F

InChI

InChIKey=HUGRRTDWQVICQI-KSSXRGRSSA-N
InChI=1S/C24H26FN7O7/c1-24(2,3)12-8-14-28-29-20(11-6-4-5-7-13(11)25)31(14)30-21(12)38-9-15-26-10-27-32(15)22-18(35)16(33)17(34)19(39-22)23(36)37/h4-8,10,16-19,22,33-35H,9H2,1-3H3,(H,36,37)/t16-,17-,18+,19-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H26FN7O7
Molecular Weight 543.5043
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 16:17:30 GMT 2023
Edited
by admin
on Sat Dec 16 16:17:30 GMT 2023
Record UNII
RHY9G8D52N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANURONIC ACID, 1-DEOXY-1-(5-(((7-(1,1-DIMETHYLETHYL)-3-(2-FLUOROPHENYL)-1,2,4-TRIAZOLO(4,3-B)PYRIDAZIN-6-YL)OXY)METHYL)-1H-1,2,4-TRIAZOL-1-YL)-
Systematic Name English
TPA023 METABOLITE M7
Common Name English
Code System Code Type Description
PUBCHEM
156596461
Created by admin on Sat Dec 16 16:17:30 GMT 2023 , Edited by admin on Sat Dec 16 16:17:30 GMT 2023
PRIMARY
FDA UNII
RHY9G8D52N
Created by admin on Sat Dec 16 16:17:30 GMT 2023 , Edited by admin on Sat Dec 16 16:17:30 GMT 2023
PRIMARY
CAS
908140-80-7
Created by admin on Sat Dec 16 16:17:30 GMT 2023 , Edited by admin on Sat Dec 16 16:17:30 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE