Gantacurium chloride

Gantacurium chloride
Clinical data
Routes of; administration	IV
Pharmacokinetic data
Bioavailability	100% (IV)
Protein binding	unknown
Metabolism	rapid inactivation by endogenous cysteine adduct formation followed by slow ester hydrolysis
Elimination half-life	unknown
Excretion	renal / hepatic
Identifiers
	IUPAC name 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;
CAS Number	213998-46-0 ;
PubChem CID	10772467;
ChemSpider	8947782 ;
UNII	LEY8QK99UR;
KEGG	D04303;
ChEMBL	ChEMBL275321;
CompTox Dashboard (EPA)	DTXSID20175663 ;
Chemical and physical data
Formula	C53H69Cl3N2O14
Molar mass	1064.48 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C[N@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)/C(=C/C(=O)OCCC[N@+]4(CCC5=CC(=C(C=C5[C@@H]4C6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C)/Cl.[Cl-].[Cl-];
	InChI InChI=1S/C53H69ClN2O14.2ClH/c1-55(19-15-34-26-41(59-3)43(61-5)30-37(34)40(55)23-33-24-45(63-7)51(67-11)46(25-33)64-8)17-13-22-70-53(58)39(54)32-49(57)69-21-14-18-56(2)20-16-35-27-42(60-4)44(62-6)31-38(35)50(56)36-28-47(65-9)52(68-12)48(29-36)66-10;;/h24-32,40,50H,13-23H2,1-12H3;2*1H/q+2;;/p-2/b39-32-;;/t40-,50+,55-,56+;;/m1../s1 ; Key:SDIFKXLSGXCGEN-WJUBNSBASA-L;
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Gantacurium chloride (formerly recognized as GW280430A and as AV430A) is a new experimental neuromuscular blocking drug or skeletal muscle relaxant in the category of non-depolarizing neuromuscular-blocking drugs, used adjunctively in surgical anesthesia to facilitate endotracheal intubation and to provide skeletal muscle relaxation during surgery or mechanical ventilation. Gantacurium is no longer in clinical development.

Clinical data

Routes of administration	IV
Pharmacokinetic data
Bioavailability	100% (IV)
Protein binding	unknown
Metabolism	rapid inactivation by endogenous cysteine adduct formation followed by slow ester hydrolysis
Elimination half-life	unknown
Excretion	renal / hepatic
Identifiers
IUPAC name 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
CAS Number	213998-46-0^Y
PubChem CID	10772467
ChemSpider	8947782^Y
UNII	LEY8QK99UR
KEGG	D04303
ChEMBL	ChEMBL275321
CompTox Dashboard (EPA)	DTXSID20175663
Chemical and physical data
Formula	C₅₃H₆₉Cl₃N₂O₁₄
Molar mass	1064.48 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C[N@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)/C(=C/C(=O)OCCC[N@+]4(CCC5=CC(=C(C=C5[C@@H]4C6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C)/Cl.[Cl-].[Cl-]
InChI InChI=1S/C53H69ClN2O14.2ClH/c1-55(19-15-34-26-41(59-3)43(61-5)30-37(34)40(55)23-33-24-45(63-7)51(67-11)46(25-33)64-8)17-13-22-70-53(58)39(54)32-49(57)69-21-14-18-56(2)20-16-35-27-42(60-4)44(62-6)31-38(35)50(56)36-28-47(65-9)52(68-12)48(29-36)66-10;;/h24-32,40,50H,13-23H2,1-12H3;2*1H/q+2;;/p-2/b39-32-;;/t40-,50+,55-,56+;;/m1../s1^N Key:SDIFKXLSGXCGEN-WJUBNSBASA-L
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