Basic information
- CAS
103880-26-8- Standard SMILES
CC(C)(CCc1ccccc1)NCC(O)c1ccc2c(c1)CCC(=O)N2- InChIKey
YYUZPBGIBVJYSI-UHFFFAOYSA-N- Molecular formula
- C22H28N2O2
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.21507814
Names & identifiers
- Preferred name
- Brefonalol
- IUPAC
- 6-[1-hydroxy-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
- English name
- Brefonalol
- Molecular formula
- C22H28N2O2
- Molecular weight
- 352.475
Names & synonyms
Brefonalol104051-20-9BrefanololBrefonalol [INN]DVO6SSG9S36-[1-hydroxy-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one(+-)-6-(2-((1,1-Dimethyl-3-phenylpropyl)amino)-1-hydroxyethyl)-3,4-dihydrocarbostyrilBrefonalolumBrefonalolum [Latin]UNII-DVO6SSG9S3DTXSID20869414YYUZPBGIBVJYSI-UHFFFAOYSA-N
Show more names
orb1698031SCHEMBL1255832CHEMBL1742432AKOS040750910103880-26-8HY-113858CS-0062961NS00127097
Database identifiers
- CAS
103880-26-8、104051-20-9- PubChem CID
- 65880
- DTXSID
DTXSID20869414- ChEMBL
CHEMBL1742432- UNII
- DVO6SSG9S3
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 459
Physicochemical properties
- FDA UNII
- 6 SSG9S3 · DVO6SSG9S3
Chemistry & industry
Suppliers2 total
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
1 records
Compound notes
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