HRID1943214
uspto-grants-2013_03
作为生成物
uspto-grants-2013_03 · 10.6084/m9.figshare.5104873.v1 · US08389524B2
查看条件与参与物HCID68598653
(1R)-1-({4-[(2,3-Dihydro-1,4-benzodioxin-6-ylmethyl)amino]-1-piperidinyl}methyl)-1,2-dihydro-4H,9H-imidazo[1,2,3-ij]-1,8-naphthyridine-4,9-dione hydrochloride
(2R)-2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;hydrochloride
C25H29ClN4O4485 g/mol
IDENTITY
结构与身份
- 标准 SMILES
- Cl.O=c1ccc2ccc(=O)n3c2n1C[C@H]3CN1CCC(NCc2ccc3c(c2)OCCO3)CC1
- InChIKey
- STEBFGLKOVXXMS-VEIFNGETSA-N
- 分子式
- C25H29ClN4O4
- 平均分子量
- 485 g/mol
- 单同位素质量
- 484.1877331
COMPUTED
结构计算性质
- 极性表面积
- 74.4 Ų
- 氢键供体
- 2
- 氢键受体
- 6
- 可旋转键
- 5
- 重原子
- 34
- 形式电荷
- 0
- 复杂度
- 891
ALIASES
名称与别名
SCHEMBL3329680STEBFGLKOVXXMS-VEIFNGETSA-N(1R)-1-({4-[(2,3-Dihydro-1,4-benzodioxin-6-ylmethyl)amino]-1-piperidinyl}methyl)-1,2-dihydro-4H,9H-imidazo[1,2,3-ij]-1,8-naphthyridine-4,9-dione hydrochloride
REACTIONS