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Substance Name: Toxiferine I dichloride
RN: 6696-58-8
UNII: 4JD1SM99QN
InChIKey: UAMHUVZCGJSLHZ-UOXMBZERSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H46-N4-O2.2Cl

Molecular Weight

  • 685.7354
 
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Names and Synonyms

Name of Substance

  • Toxiferine I dichloride

Synonyms

  • C-Toxiferine 1
  • Toxiferine I, dichloride
  • UNII-4JD1SM99QN

Systematic Name

  • Toxiferine dichloride

Registry Numbers

CAS Registry Number

  • 6696-58-8

FDA UNII

  • 4JD1SM99QN

System Generated Number

  • 0006696588

Molecular Formulas

Molecular Formula

  • C40-H46-N4-O2.2Cl

Molecular Formula Fragments

  • C40-H46-N4-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C40H46N4O2.2ClH/c1-43-15-13-39-31-7-3-5-9-33(31)41-22-30-28-20-36-40(14-16-44(36,2)24-26(28)12-18-46)32-8-4-6-10-34(32)42(38(30)40)21-29(37(39)41)27(19-35(39)43)25(23-43)11-17-45;;/h3-12,21-22,27-28,35-38,45-46H,13-20,23-24H2,1-2H3;2*1H/q+2;;/p-2/b25-11-,26-12-,29-21-,30-22-;;/t27-,28-,35-,36-,37-,38-,39+,40+,43-,44-;;/m0../s1

InChIKey

UAMHUVZCGJSLHZ-UOXMBZERSA-L

Smiles

C[N@@+]12[C@@H]3[C@@]4([C@H]/5N(c6c4cccc6)/C=C/7\[C@@H]8N(c9c(cccc9)[C@]84[C@H]6[N@+](C/C(=C/CO)/[C@@H]7C6)(CC4)C)/C=C5/[C@@H](C3)/C(=C\CO)/C1)CC2.[Cl-].[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intramuscular 14ug/kg (0.014mg/kg)   Toxicology and Applied Pharmacology. Vol. 35, Pg. 107, 1976.
monkey LD50 intramuscular 18ug/kg (0.018mg/kg)   Toxicology and Applied Pharmacology. Vol. 35, Pg. 107, 1976.
monkey LD50 intravenous 8900ng/kg (0.0089mg/kg)   Toxicology and Applied Pharmacology. Vol. 35, Pg. 107, 1976.
mouse LD50 intravenous 12ug/kg (0.012mg/kg) BEHAVIORAL: MUSCLE WEAKNESS Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 244, Pg. 493, 1963.