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Basic information
- CAS
222834-21-1- Standard SMILES
CCOC(Cc1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1)C(=O)O- InChIKey
WMUIIGVAWPWQAW-UHFFFAOYSA-N- Molecular formula
- C25H25NO5
- Average molar mass
- 419.5 g/mol
- Monoisotopic mass
- 419.1732729
Names & identifiers
- Preferred name
- Ragaglitazar(racemate)
- IUPAC
- 2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid
Names & synonyms
Ragaglitazar(racemate)Ragaglitazar racemateQH667UN8BQ222834-21-1NN622NN-622UNII-QH667UN8BQDRF-27253-(4-(2-(Phenoxazin-10-yl)ethoxy)phenyl)-2-ethoxypropanoic acid2-Ethoxy-3-(4-(2-(10H-phenoxazin-10-yl)ethoxy)phenyl)propanoic acidBenzenepropanoic acid, alpha-ethoxy-4-(2-(10H-phenoxazin-10-yl)ethoxy)-(-)-3-(4-(2-(Phenoxazin-10-yl)ethoxy)phenyl)-2-ethoxypropanoic acid
Show more names
DRF 2725; NN 622SCHEMBL682732CHEMBL1697704WMUIIGVAWPWQAW-UHFFFAOYSA-N2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid(+) 3-[4-[2-(Phenoxazin-10-yl)ethoxy]phenyl]-2-ethoxypropanoic acidracemic 3-[4-[2-(phenoxazin-10-yl)ethoxy]phenyl]-2-ethoxypropanoic acidRacemic 3-[4-[2-(phenoxazin-10-yl)ethoxyl]phenyl]-2-ethoxypropanoic acid
Database identifiers
- CAS
222834-21-1- PubChem CID
- 4630913
- ChEMBL
CHEMBL1697704- UNII
- QH667UN8BQ
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 542
Related reactions
15 records
Compound notes
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