Gantacurium chloride

HCID 10772467

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Basic information

CAS: 213998-46-0
Standard 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
Molecular formula: C53H69Cl3N2O14
Average molar mass: 1,064.5 g/mol
Monoisotopic mass: 1,062.381438

Names & identifiers

Preferred name: 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
English name: 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)-
Molecular formula: C53H69Cl2N2O14+
Molecular weight: 1029.03

Names & synonyms

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

Show more names

GW-0430AV4430AAV 4430AGW280430GW 280430GW 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（1Isoquinolinium, 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)-

Cloruro de gantacurioChlorure de gantacuriumUNII-LEY8QK99URCHEMBL275321orb1697114SCHEMBL3821728SCHEMBL29403500DTXSID20175663

Database identifiers

CAS: 213998-46-0
PubChem CID: 10772467
DTXSID: DTXSID20175663
ChEMBL: CHEMBL275321
UNII: LEY8QK99UR

Properties

Computed structural properties

Topological polar surface area: 145 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 16
Rotatable bonds: 25
Heavy atoms: 72
Formal charge: 0
Complexity: 1,640

Physicochemical properties

FDA UNII: 8 QK99UR · LEY8QK99UR

Chemistry & industry

Applications · 1 item

UsesGantacurium is an ultrashort-acting, nondepolarizing neuromuscular blocking agent that is degraded by nonenzymatic binding to L-cysteine under physiological conditions. Gantacurium causes a decrease in mean arterial pressure and an increase in heart rate[1].

Suppliers4 total

苏州美石生物科技有限公司1173954148q · [email protected]

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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