HCID131732656

(R)-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine(+/-)-Mandelate Salt Hydrate

(5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;2-hydroxy-2-phenylacetic acid;hydrate

C19H24ClNO4365.8 g/mol

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IDENTITY

结构与身份

标准SMILES: C[C@H]1CNCCc2ccc(Cl)cc21.O.O=C(O)C(O)c1ccccc1
InChIKey: XYLIWYNXJZRULY-JZGIKJSDSA-N
分子式: C19H24ClNO4
平均分子量: 365.8 g/mol
单同位素质量: 365.1393859

COMPUTED

结构计算性质

已同步

极性表面积: 70.6 Å²
氢键供体: 4
氢键受体: 5
可旋转键: 2
重原子: 25
形式电荷: 0
复杂度: 310

ALIASES

名称与别名

共 3 条

XYLIWYNXJZRULY-JZGIKJSDSA-N(R)-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine (+/-)-mandelate salt hydrate(R)-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine(+/-)-Mandelate Salt Hydrate

REACTIONS

参与反应

1 条

uspto-grants-2015_04 · 10.6084/m9.figshare.5104873.v1 · US08999970B2

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