HRID1826152
uspto-grants-2006_05
作为反应物
uspto-grants-2006_05 · 10.6084/m9.figshare.5104873.v1 · US07049311B1
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(11S,11aS)-8-Methyl-7,9-dimethoxy-11-hydroxy-10-N-(2',2',2'-tri-chloroethoxylcarbonyl)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
2,2,2-trichloroethyl (6S,6aS)-6-hydroxy-2,4-dimethoxy-3-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate
C18H21Cl3N2O6467.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1cc2c(c(OC)c1C)N(C(=O)OCC(Cl)(Cl)Cl)[C@@H](O)[C@@H]1CCCN1C2=O
- InChIKey
- JIVHOVBNJUWAIK-ZBEGNZNMSA-N
- 分子式
- C18H21Cl3N2O6
- 平均分子量
- 467.7 g/mol
- 单同位素质量
- 466.046519
COMPUTED
结构计算性质
- XLogP
- 3.7
- 极性表面积
- 88.5 Ų
- 氢键供体
- 1
- 氢键受体
- 6
- 可旋转键
- 4
- 重原子
- 29
- 形式电荷
- 0
- 复杂度
- 633
ALIASES
名称与别名
SCHEMBL5962882JIVHOVBNJUWAIK-ZBEGNZNMSA-N(11S,11aS)-8-Methyl-7,9-dimethoxy-11-hydroxy-10-N-(2',2',2'-tri-chloroethoxylcarbonyl) -1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one(11S,11aS)-8-Methyl-7,9-dimethoxy-11-hydroxy-10-N-(2',2',2'-tri-chloroethoxylcarbonyl)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one(11S,11aS)-8-Methyl-7,9-dimethoxy-11-hydroxy-10-N-(2',2',2'-trichloroethoxylcarbonyl)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4] benzodiazepin-5-one
REACTIONS
参与反应
HRID1830988
uspto-grants-2006_06
作为反应物
uspto-grants-2006_06 · 10.6084/m9.figshare.5104873.v1 · US07067511B2
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