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Substance Name: N,N',O,O'-Tetramethylcurinium diiodide (7CI)
RN: 16240-52-1
InChIKey: DIGFQJFCDPKEPF-YIECZYFASA-L

Molecular Formula

  • C40-H48-N2-O6.2I

Molecular Weight

  • 906.627
 
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Names and Synonyms

Synonyms

  • (1-beta)-6,6',7',12'-Tetramethoxy-2,2,2',2'-tetramethyltubocuraranium diiodide
  • Dimethyl l-curine dimethiodide
  • O,O-Dimethylcurine dimethiodide

Systematic Names

  • N,N',O,O'-Tetramethylcurinium diiodide (7CI)
  • Tubocuraranium, 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyl-, diiodide, (1-beta)-

Registry Numbers

CAS Registry Number

  • 16240-52-1

System Generated Number

  • 0016240521

Molecular Formulas

Molecular Formula

  • C40-H48-N2-O6.2I

Molecular Formula Fragments

  • C40-H48-N2-O6
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C40H48N2O6.2HI/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36;;/h9-14,21-24,31-32H,15-20H2,1-8H3;2*1H/q+2;;/p-2/t31-,32-;;/m1../s1

InChIKey

DIGFQJFCDPKEPF-YIECZYFASA-L

Smiles

c1c2Oc3c(c(OC)cc4CC[N+]([C@@H](c34)Cc3cc(c(cc3)OC)Oc3c(cc4c(c3)[C@H]([N+](CC4)(C)C)Cc(c1)cc2)OC)(C)C)OC.[IH-].[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1030ug/kg (1.03mg/kg)   Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 15, Pg. 513, 1980.
rat LD50 intraperitoneal 940ug/kg (0.94mg/kg)   Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 15, Pg. 513, 1980.