1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-{[2-(2H3)methyl(1,1,1,3,3,3-2H6)propan-2-yl]amino}ethanol, Mabuterol-d9
HIT218701034
sdf文件结构编辑类似物检索
HIT ID: HIT218701034
Cas No:
分子式: C13H18ClF3N2O
分子量: 319.8
常用名: 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-{[2-(2H3)methyl(1,1,1,3,3,3-2H6)propan-2-yl]amino}ethanol, Mabuterol-d9
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-{[2-(2H3)methyl(1,1,1,3,3,3-2H6)propan-2-yl]amino}ethan-1-ol
SMILES: [2H]C([2H])([2H])C(NCC(O)c1cc(Cl)c(N)c(c1)C(F)(F)F)(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChI key: JSJCTEKTBOKRST-GQALSZNTSA-N
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