(1S)-1,2,3,4-テトラヒドロ-1-(3,4-ジメトキシベンジル)-6,7-ジメトキシ-2-メチルイソキノリン

Laudanosine

HCID 73397CAS 2688-77-9

基本情報

標準SMILES
COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)cc1OC
InChIKey
KGPAYJZAMGEDIQ-KRWDZBQOSA-N
分子式
C21H27NO4
平均分子量
357.4 g/mol
単同位体質量
357.19400834

名称と識別子

優先名称
Laudanosine
IUPAC
(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
現地名
(1S)-1,2,3,4-テトラヒドロ-1-(3,4-ジメトキシベンジル)-6,7-ジメトキシ-2-メチルイソキノリン
英語名
laudanosine
分子式
C21H27NO4
分子量
357.44

名称と別名

N-MethyltetrahydropapaverineDA7R5WVN48NSC-35045RefChem:924552216-923-9220-253-21-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolineLaudanosine(S)-Laudanosine2688-77-9(+)-LaudanosineNSC 35045
名称をさらに表示
[1S,(+)]-1-[(3,4-ジメトキシフェニル)メチル]-1,2,3,4-テトラヒドロ-6,7-ジメトキシ-2-メチルイソキノリン(1S)-1,2,3,4-テトラヒドロ-2-メチル-1-(3,4-ジメトキシベンジル)-6,7-ジメトキシイソキノリン(1S)-1,2,3,4-テトラヒドロ-1-(3,4-ジメトキシベンジル)-6,7-ジメトキシ-2-メチルイソキノリン(+)-ラウダノシン(+)-(S)-ラウダノシン(1S)-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(1S)-1,2,3,4-テトラヒドロ-6,7-ジメトキシ-1-(3,4-ジメトキシベンジル)-2-メチルイソキノリン(S)-ラウダノシン(+)-(S)-LaudanosineCisatracurium Besylate Impurity 49Atracurium Impurity 10(S-Laudanosine)(1S)-1,2,3,4-Tetrahydro-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methylisoquinoline[1S,(+)]-1-[(3,4-Dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinoline
EINECS 220-253-2(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline(1S)-1-[(3,4-Dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-isoquinoline(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline(S)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolineIsoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, (1S)-(S)-(+)-LaudanosineAC1L2JSD

データベース識別子

CAS
2688-77-9
PubChem CID
73397
DTXSID
DTXSID30878577
ChEMBL
CHEMBL1407、CHEMBL519894
ChEBI
CHEBI:6389
UNII
DA7R5WVN48
EC Number
220-253-2
Nikkaji
J14.884I

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

物理化学的性質

融点
89 ° · 89°
比旋光度
16 · D16 +106° (c = 1.6 in 97% alc); D16 +130° (chloroform); D22 +52.2 ±1.3° (chloroform); D20 +82.5° (ethanol)
沸点
490.07 °C · 490.07°C (rough estimate)
比重(密度)
1.1729 · 1.1729 (rough estimate)
屈折率
1.5614 · 1.5614 (estimate)
貯蔵温度
-20 °C · -20°C Freezer

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

A class of drugs producing both physiological and psychological effects through a variety of mechanisms. They can be divided into specific agents, e.g., affecting an identifiable molecular mechanism unique to target cells bearing receptors for that agent, and nonspecific agents, those producing effects on different target cells and acting by diverse molecular mechanisms. Those with nonspecific mechanisms are generally further classed according to whether they produce behavioral depression or stimulation. Those with specific mechanisms are classed by locus of action or specific therapeutic use. (From Gilman AG, et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed, p252)

応用分野

使用Laudanosine is a metabolite of the neuromuscular-blocking drugs Atracurium (A794500) and Cisatracurium (C496700) with potentially toxic systemic effects. It crosses the blood-brain barrier and may cause excitement and seizure activity.

調製方法

純化方法Crystallise these from EtOH. The (±)-picrate crystallises from EtOH with m 177-178o. The (-)-isomer has m 83-85o and

サプライヤー27 社

广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
United Life Science020-82099279 18988941402 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]

関連反応

1 件

関連ノート

読み込み中…