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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H28N2O8
Molecular Weight 532.5412
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 12-HYDROXY O-DEMETHYL PELIGLITAZAR

SMILES

C[C@H](N(CC(O)=O)C(=O)OC1=CC=C(O)C=C1)C2=CC=C(OCCC3=C(CO)OC(=N3)C4=CC=CC=C4)C=C2

InChI

InChIKey=JXDHIICOTMYQGD-IBGZPJMESA-N
InChI=1S/C29H28N2O8/c1-19(31(17-27(34)35)29(36)38-24-13-9-22(33)10-14-24)20-7-11-23(12-8-20)37-16-15-25-26(18-32)39-28(30-25)21-5-3-2-4-6-21/h2-14,19,32-33H,15-18H2,1H3,(H,34,35)/t19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H28N2O8
Molecular Weight 532.5412
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:04:36 GMT 2023
Edited
by admin
on Sat Dec 16 16:04:36 GMT 2023
Record UNII
7538A4GO49
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
12-HYDROXY O-DEMETHYL PELIGLITAZAR
Common Name English
GLYCINE, N-((1S)-1-(4-(2-(5-(HYDROXYMETHYL)-2-PHENYL-4-OXAZOLYL)ETHOXY)PHENYL)ETHYL)-N-((4-HYDROXYPHENOXY)CARBONYL)-
Systematic Name English
PELIGLITAZAR METABOLITE M7
Common Name English
Code System Code Type Description
PUBCHEM
118753115
Created by admin on Sat Dec 16 16:04:36 GMT 2023 , Edited by admin on Sat Dec 16 16:04:36 GMT 2023
PRIMARY
FDA UNII
7538A4GO49
Created by admin on Sat Dec 16 16:04:36 GMT 2023 , Edited by admin on Sat Dec 16 16:04:36 GMT 2023
PRIMARY
CAS
1807608-02-1
Created by admin on Sat Dec 16 16:04:36 GMT 2023 , Edited by admin on Sat Dec 16 16:04:36 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
TRACE
URINE
PARENT -> METABOLITE
6.13% of dose in group 1 and 2.33% of the dose in group 2
FECAL