라우다노신

Laudanosine

HCID 73397CAS 2688-77-9

기본 정보

표준 SMILES
COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)cc1OC
InChIKey
KGPAYJZAMGEDIQ-KRWDZBQOSA-N
분자식
C21H27NO4
평균 분자량
357.4 g/mol
단동위원소 질량
357.19400834

이름 및 식별자

우선 이름
Laudanosine
IUPAC
(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
현지명
라우다노신
영어명
laudanosine
분자식
C21H27NO4
분자량
357.44

이름 및 동의어

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
이름 더 보기
라우다노신(+)-(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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
3.7
극성 표면적
40.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
6
무거운 원자 수
26

물리화학적 성질

녹는점
89 ° · 89°
끓는 점
490.07 °C · 490.07°C (rough estimate)
밀도
1.1729 · 1.1729 (rough estimate)
굴절률
1.5614 · 1.5614 (estimate)
저장 조건
-20 °C · -20°C Freezer
용해도
클로로포름(약간 용해됨), 에탄올(약간 용해됨), 메탄올(약간 용해됨, 초음파 처리)

안전 및 규제

안전 데이터

신호 어
Danger

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

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)

응용 분야

용도Laudanosine 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.

공급사27 곳

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