Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Gantacurium chloride
GW-0430 · AV4430A · AV 4430A · GW280430 · GW 280430 · GW 280430A · (1S,2R)-2-(3-(((Z)-3-chloro-4-(3-((1R,2S)-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propoxy)-4-oxobut-2-enoyl)oxy)propyl)-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride（1 · 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)-
식별자 및 물리적 특성
| CAS No. | 213998-46-0 |
|---|---|
| 분자식 | C53H69Cl3N2O14 |
| 평균 분자량 | 1,064.5 g/mol |
| 단동위원소 질량 | 1,062.381438 g/mol |
| 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 |
| PubChem CID | 10772467 |
| ChEMBL | CHEMBL275321 |
| DTXSID | DTXSID20175663 |
화학 및 물리적 성질
| 극성 표면적 | 145 |
|---|---|
| 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 |