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Substance Name: Curaninium, 2,16,19,20-tetrahydro-4-ethyl-17-oxo-, chloride
RN: 1876-64-8
InChIKey: IQOMMFCSCAXHDF-XXIYVGNKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N2-O.Cl

Molecular Weight

  • 356.895
 
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Names and Synonyms

Synonym

  • 4-Ethyl-17-oxo-2,16,19,20-tetrahydrocuraninium chloride

Systematic Name

  • Curaninium, 2,16,19,20-tetrahydro-4-ethyl-17-oxo-, chloride

Registry Numbers

CAS Registry Number

  • 1876-64-8

System Generated Number

  • 0001876648

Molecular Formulas

Molecular Formula

  • C21-H25-N2-O.Cl

Molecular Formula Fragments

  • C21-H25-N2-O
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C21H24N2O.ClH/c1-3-14-12-23(4-2)10-9-21-17-7-5-6-8-18(17)22-20(21)16(13-24)15(14)11-19(21)23;/h3,5-8,13,15,19H,4,9-12H2,1-2H3;1H/b14-3+;/t15-,19-,21?,23?;/m0./s1

InChIKey

IQOMMFCSCAXHDF-XXIYVGNKSA-N

Smiles

C1[C@@H]\2C(=C3[C@@]4(CC[N@@+](CC2=C\C)(CC)[C@@H]14)c1c(N3)cccc1)C=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 6750ug/kg (6.75mg/kg)   Pharmaceutical Chemistry Journal Vol. 10, Pg. 275, 1976.