12-Hydroxy muraglitazar
Basic information
- CAS
875430-23-2- Standard SMILES
COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3CO)cc2)cc1- InChIKey
SZQYQVHETQTNHR-UHFFFAOYSA-N- Molecular formula
- C29H28N2O8
- Average molar mass
- 532.5 g/mol
- Monoisotopic mass
- 532.18456586
Names & identifiers
- Preferred name
- 12-Hydroxy muraglitazar
- IUPAC
- 2-[[4-[2-[5-(hydroxymethyl)-2-phenyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl-(4-methoxyphenoxy)carbonylamino]acetic acid
Names & synonyms
12-Hydroxy muraglitazarMuraglitazar metabolite M10VVC144MRE2UNII-VVC144MRE2875430-23-2Glycine, N-((4-(2-(5-(hydroxymethyl)-2-phenyl-4-oxazolyl)ethoxy)phenyl)methyl)-N-((4-methoxyphenoxy)carbonyl)-N-((4-(2-(5-(Hydroxymethyl)-2-phenyl-4-oxazolyl)ethoxy)phenyl)methyl)-N-((4-methoxyphenoxy)carbonyl)glycineRefChem:197129CHEMBL429671BDBM50376415NS00116831
Database identifiers
- CAS
875430-23-2- PubChem CID
- 44448403
- ChEMBL
CHEMBL429671- UNII
- VVC144MRE2
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 748
Chemistry & industry
Pharmacology
Metabolism/Metabolites12-Hydroxy muraglitazar is a known human metabolite of muraglitazar.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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