Gantacurium

HCID 10102486CAS 758669-50-0

기본 정보

표준 SMILES: COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[N@@+](C)(CCCOC(=O)/C=C(\Cl)C(=O)OCCC[N@+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2
InChIKey: ZQLDXCSTJFLRPY-RWBXLJKRSA-N
분자식: C53H69ClN2O14+2
평균 분자량: 993.6 g/mol
단동위원소 질량: 992.44263541

개요

Gantacurium chloride is a new, investigational, non-depolarizing ultra-short acting neuromuscular blocker. It is being developed by Avera Pharmaceuticals.

이름 및 식별자

우선 이름: Gantacurium
IUPAC: 4-O-[3-[(1S,2R)-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] 1-O-[3-[(1R,2S)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] (Z)-2-chlorobut-2-enedioate

이름 및 동의어

GantacuriumGantacurium ionGantacurium cationN9VK9ZO25E758669-50-0DTXSID902267724-O-[3-[(1S,2R)-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] 1-O-[3-[(1R,2S)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] (Z)-2-chlorobut-2-enedioate4-O-(3-((1S,2R)-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propyl) 1-O-(3-((1R,2S)-6,7-dimethoxy-2-methyl-1-((3,4,5-trimethoxyphenyl)methyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propyl) (Z)-2-chlorobut-2-enedioateRefChem:142620DTXCID20149263UNII-N9VK9ZO25ESCHEMBL2606283

이름 더 보기

CHEMBL1182997SCHEMBL29385798ZQLDXCSTJFLRPY-RWBXLJKRSA-NDB05710NS00073673Q27284755(1R,2S)-2-(3-{[(2Z)-2-Chloro-4-{3-[(1S,2R)-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinolin-2-ium-2(1H)-yl]propoxy}-4-oxobut-2-enoyl]oxy}propyl)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

데이터베이스 식별자

CAS: 758669-50-0
PubChem CID: 10102486
DTXSID: DTXSID90226772
ChEMBL: CHEMBL1182997
UNII: N9VK9ZO25E
Nikkaji: J1.345.757C、J2.460.188I

물성

구조 계산 물성

XLogP: 8.3
극성 표면적: 145 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 14
회전 가능 결합 수: 25
무거운 원자 수: 70
형식 전하: 2
복잡도: 1,640

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

화학 및 산업

약리 정보

Pharmacodynamics · 1건

Gantacurium chloride administered to anesthetized and ventilated healthy volunteers, caused dose dependent transient decrease in arterial blood pressure, mild histamine release at higher doses and no consistent changes in pulmonary compliance.

Biological Half-Life3.09±0.21 minutes

Metabolism/MetabolitesThe pharmacokinetic parameters are consistent with in situ rapid inactivation by plasma cysteine.

연결된 노트

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