기본 정보
- CAS
213998-46-0- 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.[Cl-].[Cl-]- InChIKey
SDIFKXLSGXCGEN-WJUBNSBASA-L- 분자식
- C53H69Cl3N2O14
- 평균 분자량
- 1,064.5 g/mol
- 단동위원소 질량
- 1,062.381438
이름 및 식별자
- 우선 이름
- Gantacurium chloride
- 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 dichloride
- 영어명
- Isoquinolinium, 2-[3-[[(2Z)-2-chloro-1,4-dioxo-4-[3-[(1S,2R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)isoquinolinio]propoxy]-2-butenyl]oxy]propyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-, chloride (1:2), (1R,2S)-
- 분자식
- C53H69Cl2N2O14+
- 분자량
- 1029.03
이름 및 동의어
Gantacurium chloride213998-46-0GW-280430AGantacurium (chloride)GW280430ALEY8QK99URAV-4430AGW-2804304-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;dichloride213998-46-0 (Gantacurium chloride)(1R,2S)-2-(3-(((2Z)-2-Chloro-4-(3-((1S,2R)-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolinio)propoxy)-4-oxobut-2-enoyl)oxy)propyl)-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinolinium dichloride(1R,2S)-2-[3-[[(2Z)-2-Chloro-4-[3-[(1S,2R)-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolinio]propoxy]-4-oxobut-2-enoyl]oxy]propyl]-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinolinium dichloride
물성
구조 계산 물성
- 극성 표면적
- 145 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 25
- 무거운 원자 수
- 72
- 형식 전하
- 0
- 복잡도
- 1,640
화학 및 산업
공급사4 곳
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TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
山东子易医药有限公司13173053288 · [email protected]
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