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Doxacurium

HCID 60169
노트반응
기본 정보개요이름 및 식별자물성화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
106791-39-3
표준 SMILES
COc1cc(CC2c3c(cc(OC)c(OC)c3OC)CC[N+]2(C)CCCOC(=O)CCC(=O)OCCC[N+]2(C)CCc3cc(OC)c(OC)c(OC)c3C2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIKey
GBLRQXKSCRCLBZ-UHFFFAOYSA-N
분자식
C56H78N2O16+2
평균 분자량
1,035.2 g/mol
단동위원소 질량
1,034.5351344

개요

Doxacurium chloride is a long-acting, nondepolarizing skeletal muscle relaxant for intravenous administration.

이름 및 식별자

우선 이름
Doxacurium
IUPAC
bis[3-[6,7,8-trimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] butanedioate

이름 및 동의어

DoxacuriumDoxacurium ionDoxacurium cationbis[3-[6,7,8-trimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] butanedioate133814-18-3DTXSID401019852P40015Y3WWbis(3-(6,7,8-trimethoxy-2-methyl-1-((3,4,5-trimethoxyphenyl)methyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propyl) butanedioate7560511IZ6RefChem:590412CHEBI:4706BW-A-938U
이름 더 보기
DTXCID801508512Isoquinolinium, 2,2'-((1,4-dioxo-1,4-butanediyl)bis(oxy-3,1-propanediyl))bis(1,2,3,4-tetrahydro-6,7,8-trimethoxy-2-methyl-1-((3,4,5-trimethoxyphenyl)methyl))-8A4O17EP8T106791-39-3Isoquinolinium, 2,2'-[(1,4-dioxo-1,4-butanediyl)bis(oxy-3,1-propanediyl)]bis[1,2,3,4-tetrahydro-6,7,8-trimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-, (1R,1'S,2S,2'R)-rel-C07549CHEMBL1237123SCHEMBL10119676

데이터베이스 식별자

CAS
106791-39-3、106819-53-8、133814-18-3
PubChem CID
60169
ChEMBL
CHEMBL1237123

물성

구조 계산 물성

XLogP
7.4
극성 표면적
163 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
16
회전 가능 결합 수
29
무거운 원자 수
74
형식 전하
2
복잡도
1,540

실험 및 물리화학적 성질

Solubility9.02e-05 g/L
Physical DescriptionSolid

화학 및 산업

약리 정보

Protein BindingApproximately 30%.
Pharmacodynamics · 1건

Doxacurium chloride is a long-acting, nondepolarizing skeletal muscle relaxant. The neuromuscular block produced by doxacurium chloride may be antagonized by anticholinesterase agents. As with other nondepolarizing neuromuscular blocking agents, the more profound the neuromuscular block at reversal, the longer the time and the greater the dose of anticholinesterase required for recovery of neuromuscular function. Doxacurium chloride is approximately 2.5 to 3 times more potent than pancuronium and 10 to 12 times more potent than metocurine.

Mechanism of Action · 1건

Doxacurium chloride binds competitively to cholinergic receptors on the motor end-plate to antagonize the action of acetylcholine, resulting in a block of neuromuscular transmission (non-depolarizing). This action is antagonized by acetylcholinesterase inhibitors, such as neostigmine.

Biological Half-Life99 minutes in normal healthy adults.
Metabolism/MetabolitesIn vivo data from humans suggest that doxacurium chloride is not metabolized and that the major elimination pathway is excretion of unchanged drug in urine and bile.
MeSH Pharmacological Classification · 1건

Drugs that interrupt transmission at the skeletal neuromuscular junction without causing depolarization of the motor end plate. They prevent acetylcholine from triggering muscle contraction and are used as muscle relaxants during electroshock treatments, in convulsive states, and as anesthesia adjuvants.

Absorption, Distribution and Excretion · 3건

In vivo data from humans suggest that NUROMAX is not metabolized and that the major elimination pathway is excretion of unchanged drug in urine and bile.

0.11-0.43 L/kg [Healthy Young Adult Patients]

2.66 mL/min/kg [Healthy Young Adult Patients]

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Cellular Locations
Cytoplasm