GANTACURIUM CHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C53H69ClN2O14.2Cl
Molecular Weight	1064.479
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Cl-].[Cl-].COC1=CC(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N@@+]2(C)CCCOC(=O)C(\Cl)=C\C(=O)OCCC[N@@+]4(C)CCC5=CC(OC)=C(OC)C=C5[C@@H]4C6=CC(OC)=C(OC)C(OC)=C6)=CC(OC)=C1OC

InChI

InChIKey=SDIFKXLSGXCGEN-WJUBNSBASA-L

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

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C53H69ClN2O14
Molecular Weight	993.573
Charge	2
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	2 / 4
E/Z Centers	1
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/11839434 | https://www.ncbi.nlm.nih.gov/pubmed/29904284 | https://www.ncbi.nlm.nih.gov/pubmed/27625489

Gantacurium (GW280430A) is an ultrashort-acting neuromuscular blocking agent with a rapid onset and a wide safety margin, and is one of the most recent neuromuscular blocking agents that have shown potential for clinical application. It is an asymmetric enantiomeric isoquinolinium diester of chlorofumaric acid. The neuromuscular properties of gantacurium (such as spontaneous recovery of a neuromuscular block induced by the compound) were comparable with the depolarizing neuromuscular blocking drug succinylcholine, but without the unwanted side effects of this depolarizing neuromuscular blocking drug. Gantacurium is, due to its unique metabolism, rapidly inactivated by cysteine adduction and alkaline hydrolysis.

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:47:04 GMT 2023` Edited by `admin` on `Fri Dec 15 15:47:04 GMT 2023`
Record UNII	LEY8QK99UR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GANTACURIUM CHLORIDE

Official Name

English

GW-280430

Code

English

GW-280430A

Code

English

GANTACURIUM CHLORIDE [USAN]

Common Name

English

AV-4430A

Code

English

gantacurium chloride [INN]

Common Name

English

GW280430A

Code

English

(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 dichlori

Systematic Name

English

Code System Code Type Description

FDA UNII

LEY8QK99UR