.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)-

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)-

Structure Search

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

Approval Year

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

PARENT (METABOLITE)


					1FI3KTC550

MK-0777

SUBSTANCE RECORD


					RHY9G8D52N

.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)-