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Substance Name: Gantacurium chloride [USAN:INN:BAN]
RN: 213998-46-0
UNII: LEY8QK99UR
InChIKey: SDIFKXLSGXCGEN-WJUBNSBASA-L

Classification Code

  • Induces Muscle Paralysis as a Surgical Adjunct (Neuromuscular Blocker)

Molecular Formula

  • C53-H69-Cl-N2-O14.2Cl

Molecular Weight

  • 1064.4871
 
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Names and Synonyms

Name of Substance

  • Gantacurium chloride [USAN:INN:BAN]

Synonyms

  • (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
  • AV 4430A
  • Gantacurium
  • Gantacurium chloride
  • GW 280430
  • GW 280430A
  • GW-280430A
  • GW280430A
  • 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)-, dichloride, (1R,2S)-
  • UNII-LEY8QK99UR

Systematic 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)-, dichloride, (1R,2S)-

Registry Numbers

CAS Registry Number

  • 213998-46-0

FDA UNII

  • LEY8QK99UR

Other Registry Number

  • 287980-51-2

System Generated Number

  • 0213998460

Molecular Formulas

Molecular Formula

  • C53-H69-Cl-N2-O14.2Cl

Molecular Formula Fragments

  • C53-H69-Cl-N2-O14
  • Cl
  • COMPONENT

Structure Descriptors

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

InChIKey

SDIFKXLSGXCGEN-WJUBNSBASA-L

Smiles

C[N@+]1(CCc2cc(c(cc2[C@H]1Cc3cc(c(c(c3)OC)OC)OC)OC)OC)CCCOC(=O)/C(=C/C(=O)OCCC[N@+]4(CCc5cc(c(cc5[C@@H]4c6cc(c(c(c6)OC)OC)OC)OC)OC)C)/Cl.[Cl-].[Cl-]