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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H36N2O13
Molecular Weight 692.6659
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-DEMETHYL PELIGLITAZAR ACYL-BETA-D-GLUCURONIDE

SMILES

C[C@H](N(CC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(=O)OC2=CC=C(O)C=C2)C3=CC=C(OCCC4=C(C)OC(=N4)C5=CC=CC=C5)C=C3

InChI

InChIKey=HXRMDUSWAOXYFQ-CRGLGLDNSA-N
InChI=1S/C35H36N2O13/c1-19(21-8-12-24(13-9-21)46-17-16-26-20(2)47-32(36-26)22-6-4-3-5-7-22)37(35(45)48-25-14-10-23(38)11-15-25)18-27(39)49-34-30(42)28(40)29(41)31(50-34)33(43)44/h3-15,19,28-31,34,38,40-42H,16-18H2,1-2H3,(H,43,44)/t19-,28-,29-,30+,31-,34+/m0/s1

HIDE SMILES / InChI

Molecular Formula C35H36N2O13
Molecular Weight 692.6659
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:11:08 GMT 2023
Edited
by admin
on Sat Dec 16 16:11:08 GMT 2023
Record UNII
6UU4H3PMF8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-DEMETHYL PELIGLITAZAR ACYL-BETA-D-GLUCURONIDE
Common Name English
(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(2-((4-HYDROXYPHENOXY)CARBONYL-((1S)-1-(4-(2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)ETHOXY)PHENYL)ETHYL)AMINO)ACETYL)OXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Common Name English
GLUCURONIDE OF O-DEMETHYL PELIGLITAZAR
Common Name English
PELIGLITAZAR METABOLITE M17
Common Name English
Code System Code Type Description
PUBCHEM
118753158
Created by admin on Sat Dec 16 16:11:08 GMT 2023 , Edited by admin on Sat Dec 16 16:11:08 GMT 2023
PRIMARY
FDA UNII
6UU4H3PMF8
Created by admin on Sat Dec 16 16:11:08 GMT 2023 , Edited by admin on Sat Dec 16 16:11:08 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
TRACE
URINE