Brl 16657

HCID 42989CAS 59257-24-8

基本情報

標準SMILES
CN(C)CCOc1ccc2c(c1)OC(C)(C)CC2c1ccc(C(F)(F)F)cc1.Cl
InChIKey
RHPRTHYFROQWDJ-UHFFFAOYSA-N
分子式
C22H27ClF3NO2
平均分子量
429.9 g/mol
単同位体質量
429.16824144

概要

dopaminergic agonist; RN given from first source; structure given in first source

名称と識別子

優先名称
Brl 16657
IUPAC
2-[[2,2-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydrochromen-7-yl]oxy]-N,N-dimethylethanamine;hydrochloride

名称と別名

Brl 16657FAZ7YM5Z5O59257-24-8brl-16657RefChem:917577Ethanamine, N,N-dimethyl-2-((2,2-dimethyl-4-(4-(trifluoromethyl)phenyl)-3,4-dihydro-2H-1-benzopyran-7-yl)oxy)-, hydrochlorideUNII-FAZ7YM5Z5OBRL 16657 HClDTXSID2043901SCHEMBL113594582-[[2,2-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydrochromen-7-yl]oxy]-N,N-dimethylethanamine;hydrochlorideQ27277896
名称をさらに表示
2,2-Dimethyl-7-dimethylaminoethyloxy-4-(-4-trifluoromethylphenyl)chroman hydrochloride2-({2,2-Dimethyl-4-[4-(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-(4-(TRIFLUOROMETHYL)PHENYL)-2H-1-BENZOPYRAN-7-YL)OXY)-N,N-DIMETHYL-, HYDROCHLORIDE (1:1)

データベース識別子

CAS
59257-24-8
PubChem CID
42989
DTXSID
DTXSID2043901
UNII
FAZ7YM5Z5O

物性

構造計算による物性

極性表面積
21.7 Ų
水素結合供与体数
1
水素結合受容体数
6
回転可能結合数
5
重原子数
29

関連反応

6 件

関連ノート

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