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Substance Name: Curaninium, 2,16,19,20-tetrahydro-17-oxo-4-propyl-, chloride
RN: 1876-65-9
InChIKey: ZZGJOPZZBFNVFU-ZCTAFXGRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N2-O.Cl

Molecular Weight

  • 370.921
 
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Names and Synonyms

Synonym

  • 17-Oxo-4-propyl-2,16,19,20-tetrahydrocuraninium chloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 1876-65-9

System Generated Number

  • 0001876659

Molecular Formulas

Molecular Formula

  • C22-H27-N2-O.Cl

Molecular Formula Fragments

  • C22-H27-N2-O
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C22H26N2O.ClH/c1-3-10-24-11-9-22-18-7-5-6-8-19(18)23-21(22)17(14-25)16(12-20(22)24)15(4-2)13-24;/h4-8,14,16,20H,3,9-13H2,1-2H3;1H/b15-4-;/t16-,20-,22?,24?;/m0./s1

InChIKey

ZZGJOPZZBFNVFU-ZCTAFXGRSA-N

Smiles

c1ccc2c([C@@]34CC[N@@+]5([C@H]4C[C@@H](\C(=C/C)C5)C(C=O)=C3N2)CCC)c1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 8500ug/kg (8.5mg/kg)   Pharmaceutical Chemistry Journal Vol. 10, Pg. 275, 1976.