U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C34H34N2O14
Molecular Weight 694.6388
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-DEMETHYL MURAGLITAZAR 17-HYDROXYGLUCURONIDE

SMILES

CC1=C(CCOC2=CC=C(CN(CC(O)=O)C(=O)OC3=CC=C(O)C=C3)C=C2)N=C(O1)C4=CC=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C=C4

InChI

InChIKey=QDIDXCHEEHQREM-RIJOFNGHSA-N
InChI=1S/C34H34N2O14/c1-18-25(35-31(47-18)20-4-10-23(11-5-20)48-33-29(42)27(40)28(41)30(50-33)32(43)44)14-15-46-22-8-2-19(3-9-22)16-36(17-26(38)39)34(45)49-24-12-6-21(37)7-13-24/h2-13,27-30,33,37,40-42H,14-17H2,1H3,(H,38,39)(H,43,44)/t27-,28-,29+,30-,33+/m0/s1

HIDE SMILES / InChI

Molecular Formula C34H34N2O14
Molecular Weight 694.6388
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 16:10:20 GMT 2023
Edited
by admin
on Sat Dec 16 16:10:20 GMT 2023
Record UNII
DJB2DR7JGJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-DEMETHYL MURAGLITAZAR 17-HYDROXYGLUCURONIDE
Common Name English
4-(4-(2-(4-(((CARBOXYMETHYL)((4-HYDROXYPHENOXY)CARBONYL)AMINO)METHYL)PHENOXY)ETHYL)-5-METHYL-2-OXAZOLYL)PHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
MURAGLITAZAR METABOLITE M17B
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-(4-(2-(4-(((CARBOXYMETHYL)((4-HYDROXYPHENOXY)CARBONYL)AMINO)METHYL)PHENOXY)ETHYL)-5-METHYL-2-OXAZOLYL)PHENYL
Systematic Name English
Code System Code Type Description
CAS
886984-57-2
Created by admin on Sat Dec 16 16:10:20 GMT 2023 , Edited by admin on Sat Dec 16 16:10:20 GMT 2023
PRIMARY
PUBCHEM
44448323
Created by admin on Sat Dec 16 16:10:20 GMT 2023 , Edited by admin on Sat Dec 16 16:10:20 GMT 2023
PRIMARY
FDA UNII
DJB2DR7JGJ
Created by admin on Sat Dec 16 16:10:20 GMT 2023 , Edited by admin on Sat Dec 16 16:10:20 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE, BILE