기본 정보
- CAS
107740-65-8- 표준 SMILES
COc1cc2c(cc1OC)[C@@H](Cc1cc(OC)c(OC)c(OC)c1)[N@@+](C)(CCCOC(=O)CC/C=C/CCC(=O)OCCC[N@@+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2.[Cl-].[Cl-]- InChIKey
WMSYWJSZGVOIJW-ZGMCMKNOSA-L- 분자식
- C58H80Cl2N2O14
- 평균 분자량
- 1,100.2 g/mol
- 단동위원소 질량
- 1,098.4986606
이름 및 식별자
- 우선 이름
- cis-cis-Mivacurium chloride
- IUPAC
- bis[3-[(1R,2R)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] (E)-oct-4-enedioate dichloride
- 영어명
- 1R, 1’R-cis,cis-Mivacurium Chloride
- 분자식
- C58H80ClN2O14+
- 분자량
- 1064.73
이름 및 동의어
cis-cis-Mivacurium chloride107740-65-8BW1217U84 chlorideBW-1217U84 chlorideL96ZIP3K2VMivacurium chloride (cis/cis)Mivacurium chloride, cis-cis-Mivacurium chloride, (E)-cis-cis-UNII-L96ZIP3K2V1R, 1'R-cis,cis-Mivacurium ChlorideIsoquinolinium, 2,2'-(((4E)-1,8-dioxo-4-octene-1,8-diyl)bis(oxy-3,1-propanediyl))bis(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-((3,4,5-trimethoxyphenyl)methyl)-, chloride (1:2), (1R,1'R,2R,2'R)-CHEMBL5591416
이름 더 보기
Micuronium chloride impurity 13Mikuronium chloride impurity 13Mivacurium Chloride Impurity 131R, 1’R-cis,cis-Mivacurium Chloride
SCHEMBL10661720DTXSID60873353Mivacurium Chloride Impurity 8 (R-R isomer)(1R,1'R,2R,2'R)-2,2'-((((E)-oct-4-enedioyl)bis(oxy))bis(propane-3,1-diyl))bis(6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium) chloride(1R,1'R,2R,2'R)-2,2'-{[(4E)-1,8-Dioxooct-4-ene-1,8-diyl]bis(oxypropane-3,1-diyl)}bis{6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium} dichloride1R, 1'R-cis,cis-Mivacurium Chloride; Isoquinolinium, 2,2'-[[(4E)-1,8-dioxo-4-octene-1,8-diyl]bis(oxy-3,1-propanediyl)]bis[1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-, chloride (1:2), (1R,1'R,2R,2'R)-; Isoquinolinium, 2,2'-[(1,8-dioxo-4-octene-1,8-diyl)bis(ox
물성
구조 계산 물성
- 극성 표면적
- 145 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 30
- 무거운 원자 수
- 76
- 형식 전하
- 0
- 복잡도
- 1,550
화학 및 산업
응용 분야
용도This is one of the three isomers of Mivacurium Chloride, a short-duration neuromuscular blocking agent. The breakdown of the isomers is stereoselective with the cis-cis isomer having a relatively slow breakdown.
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