Basic information
- CAS
59257-18-0- Standard SMILES
CN(C)CCOc1ccc2c(c1)OC(C)(C)CC2c1cccc(C(F)(F)F)c1.Cl- InChIKey
BXRCZHAPEXTREH-UHFFFAOYSA-N- Molecular formula
- C22H27ClF3NO2
- Average molar mass
- 429.9 g/mol
- Monoisotopic mass
- 429.16824144
Overview
dopaminergic agonist; RN given from first source; structure given in first source
Names & identifiers
- Preferred name
- Brl 16644
- IUPAC
- 2-[[2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydrochromen-7-yl]oxy]-N,N-dimethylethanamine;hydrochloride
Names & synonyms
Brl 16644WN32ZJ5EOD59257-18-0BRL-16644RefChem:917576BRL-16644, (A+-)-Ethanamine, N,N-dimethyl-2-((2,2-dimethyl-4-(3-(trifluoromethyl)phenyl)-3,4-dihydro-2H-1-benzopyran-7-yl)oxy)-, hydrochlorideUNII-WN32ZJ5EODBRL 16644 HClDTXSID7043900SCHEMBL11363146BRL-16644, (+/-)-
Show more names
Q272927312,2-Dimethyl-7-dimethylaminoethyloxy-4-(3-trifluoromethylphenyl) chroman hydrochloride2,2-Dimethyl-7-dimethylaminoethyloxy-4-(3-trifluoromethylphenyl)chroman hydrochloride2-({2,2-Dimethyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-N,N-dimethylethan-1-amine--hydrogen chloride (1/1)ETHANAMINE, 2-((3,4-DIHYDRO-2,2-DIMETHYL-4-(3-(TRIFLUOROMETHYL)PHENYL)-2H-1-BENZOPYRAN-7-YL)OXY)-N,N-DIMETHYL-, HYDROCHLORIDE (1:1)
Database identifiers
- CAS
59257-18-0- PubChem CID
- 42987
- DTXSID
DTXSID7043900- UNII
- WN32ZJ5EOD
Properties
Computed structural properties
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 509
Related reactions
6 records
Compound notes
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