2-(Acetyloxy)benzoic acid mixt. with aluminum hydroxide, 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, (R)-3-hydroxy-alpha-((methylamino)methyl)benzenemethanol hydrochloride, magensium carbonate (1:1) and 2,3,4,9-tetrahydro-2-methyl-9-phenyl-1H-indeno(2,1-c)pyridine (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)
基本情報
- CAS
51004-30-9- 標準SMILES
CC(=O)Oc1ccccc1C(=O)O.CN1CCC2=C(C1)C(c1ccccc1)c1ccccc12.CNC[C@H](O)c1cccc(O)c1.Cl.Cn1c(=O)c2c(ncn2C)n(C)c1=O.O=C(O)[C@H](O)[C@@H](O)C(=O)O.O=C([O-])[O-].[Al+3].[Mg+2].[OH-].[OH-].[OH-]- InChIKey
NSBAPPNBBULPBT-BHQGKGKBSA-I- 分子式
- C50H60AlClMgN6O20
- 平均分子量
- 1,151.8 g/mol
- 単同位体質量
- 1,150.3216711
名称と識別子
- 優先名称
- 2-(Acetyloxy)benzoic acid mixt. with aluminum hydroxide, 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, (R)-3-hydroxy-alpha-((methylamino)methyl)benzenemethanol hydrochloride, magensium carbonate (1:1) and 2,3,4,9-tetrahydro-2-methyl-9-phenyl-1H-indeno(2,1-c)pyridine (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)
- IUPAC
- aluminum;magnesium;2-acetyloxybenzoic acid;(2R,3R)-2,3-dihydroxybutanedioic acid;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1,3,7-trimethylpurine-2,6-dione;carbonate;trihydroxide;hydrochloride
名称と別名
2-(Acetyloxy)benzoic acid mixt. with aluminum hydroxide, 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, (R)-3-hydroxy-alpha-((methylamino)methyl)benzenemethanol hydrochloride, magensium carbonate (1:1) and 2,3,4,9-tetrahydro-2-methyl-9-phenyl-1H-indeno(2,1-c)pyridine (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)51004-30-9Benzoic acid, 2-(acetyloxy)-, mixt. with aluminum hydroxide, 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, (R)-3-hydroxy-alpha-((methylamino)methyl)benzenemethanol hydrochloride, magensium carbonate (1:1) and 2,3,4,9-tetrahydro-2-methyl-9-phenyl-1H-indeno(2,1-c)pyridine (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)
データベース識別子
- CAS
51004-30-9- PubChem CID
- 170952
物性
構造計算による物性
- 極性表面積
- 359 Ų
- 水素結合供与体数
- 12
- 水素結合受容体数
- 23
- 回転可能結合数
- 10
- 重原子数
- 79
- 形式電荷
- 0
- 複雑度
- 1,180
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