Name: Gantacurium chloride
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212716210
Cas No:213998-46-0
常用名:Gantacurium chloride
别名:GW280430, GW-0430, GW 280430A, GW 280430, AV4430A, AV 4430A
别名:GW280430, GW-0430, GW 280430A, GW 280430, AV4430A, AV 4430A
IUPAC:(1S,2R)-2-(3-{[(2Z)-3-chloro-4-{3-[(1R,2S)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-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 dichloride
IUPAC:(1S,2R)-2-(3-{[(2Z)-3-chloro-4-{3-[(1R,2S)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-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 dichloride
InChI key:SDIFKXLSGXCGEN-WJUBNSBASA-L

分子式:C53H69Cl3N2O14
分子量:1064.49
氢键供体数 (HBD):0
氢键受体数 (HBA):12
LogP:-1.2518197
SMILES:[Cl-].[Cl-].COc1cc2CC[N@@+](C)(CCCOC(=O)C(\Cl)=C\C(=O)OCCC[N@@+]3(C)CCc4cc(OC)c(OC)cc4[C@@H]3c3cc(OC)c(OC)c(OC)c3)[C@H](Cc3cc(OC)c(OC)c(OC)c3)c2cc1OC
SMILES:[Cl-].[Cl-].COc1cc2CC[N@@+](C)(CCCOC(=O)C(\Cl)=C\C(=O)OCCC[N@@+]3(C)CCc4cc(OC)c(OC)cc4[C@@H]3c3cc(OC)c(OC)c(OC)c3)[C@H](Cc3cc(OC)c(OC)c(OC)c3)c2cc1OC

Gantacurium chloride is a benzylisoquinoline alkaloid, which may be used as an adjuvant in anesthesia.

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