Ritobegron ethyl
Basic information
- CAS
255733-81-4- Standard SMILES
CCOC(=O)COc1cc(C)c(CCN[C@@H](C)[C@H](O)c2ccc(O)cc2)cc1C- InChIKey
SLXOKVKOBXCWCK-SBUREZEXSA-N- Molecular formula
- C23H31NO5
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.22022309
Overview
prodrug of KUC-7322
Names & identifiers
- Preferred name
- Ritobegron ethyl
- IUPAC
- ethyl 2-[4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-2,5-dimethylphenoxy]acetate
Names & synonyms
Ritobegron ethyl(-)-Ritobegron ethylRitobegron ethyl, (-)-E89L9L8KFH255733-81-4Acetic acid, 2-(4-(2-(((1S,2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl)amino)ethyl)-2,5-dimethylphenoxy)-, ethyl esterDTXSID30180263Ethyl 2-(4-(2-((2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl)amino)ethyl)-2,5-dimethylphenyloxy)acetateRefChem:179513DTXCID40102754KUC-7483 free baseUNII-E89L9L8KFH
Show more names
orb2814931SCHEMBL2250255SLXOKVKOBXCWCK-SBUREZEXSA-Nethyl 2-[4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-2,5-dimethylphenoxy]acetateT202780Q27277006ethyl (-)-2-[4-[2-[[(1S,2R)-2-hydroxy-2-(4-hydroxy-phenyl)-1-methyethyl]amino]ethyl]-2,5-dimethylphenoxy]acetateethyl (-)-2-[4-[2-[[(1S,2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyethyl]amino]ethyl]-2,5-dimethylphenoxy]acetate
Database identifiers
- CAS
255733-81-4- PubChem CID
- 9810282
- DTXSID
DTXSID30180263- UNII
- E89L9L8KFH
- Nikkaji
- J2.594.076H
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 480
Related reactions
3 records
Compound notes
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