基本情報
- CAS
85-63-2- 標準SMILES
COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C)cc1OC- InChIKey
KGPAYJZAMGEDIQ-QGZVFWFLSA-N- 分子式
- C21H27NO4
- 平均分子量
- 357.4 g/mol
- 単同位体質量
- 357.19400834
概要
(R)-laudanosine is a benzylisoquinoline alkaloid that is (R)-tetrahydropapaverine in which the amino hydrogen has been replaced by a methyl group. It is a benzylisoquinoline alkaloid, a benzyltetrahydroisoquinoline, an aromatic ether, a polyether and a tertiary amino compound. It is functionally related to a (R)-tetrahydropapaverine. It is a conjugate base of a (R)-laudanosine(1+).
名称と識別子
- 優先名称
- Laudanosine, (R)-
- IUPAC
- (1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
- 現地名
- (1R)-1-[(3,4-ジメトキシフェニル)メチル]-6,7-ジメトキシ-2-メチル-1,2,3,4-テトラヒドロイソキノリン
- 英語名
- (R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
- 分子式
- C21H27NO4
- 分子量
- 357.44
名称と別名
(R)-laudanosine85-63-2(-)-LaudanosineD-LaudanosineO-MethyllaudanidineLaudanosine, (R)-EO6NL5AZ5Z(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolineCHEBI:136734(R)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-veratrylisoquinolineIsoquinoline, 1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, (1R)-(1R)-1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
名称をさらに表示
(1R)-1-[(3,4-ジメトキシフェニル)メチル]-6,7-ジメトキシ-2-メチル-1,2,3,4-テトラヒドロイソキノリンImpurities of atracurium391cis-Atracurium EP Impurity C(R)-1-(3,4-dimethoxybenzyl)-AtracuriuM Besylate iMpurity CCisatracurium Besilate Impurity 3Cisatracurium Besilate EP Impurity CCisatracurium Besilate EP Impurity C (R-Laudanosine)
RefChem:1088370UNII-EO6NL5AZ5Z(R)-Laudanosine [USP](1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolineCisatracurium Besylate EP Impurity C(R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline(R)-N-methyltetrahydropapaverine(R)-(-)-laudanosine
物性
構造計算による物性
- XLogP
- 3.7
- 極性表面積
- 40.2 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 6
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 434
物理化学的性質
- 溶解性
- Chloroform (Slightly), DMSO (Slightly, Sonicated), Ethanol (Slightly), Methanol
- 外見
- Solid
- 色
- White to Off-White
化学と産業
上流・下流製品情報
上流原料
下流製品
サプライヤー41 社
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