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Substance Name: Cassaine hydrochloride
RN: 33445-03-3
InChIKey: UQNFMXUHEOLGBU-ZUQRMPMESA-N

Molecular Formula

  • C24-H39-N-O4.Cl-H

Molecular Weight

  • 442.036
 
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Names and Synonyms

Results Name

  • Cassaine hydrochloride

Synonyms

  • Cassaine HCl
  • Cassaine hydrochloride

Systematic Name

  • 8-beta-Podocarpane-delta(sup 13,alpha)-acetic acid, 3-beta-hydroxy-14-alpha-methyl-7-oxo-, 2-(dimethylamino)ethyl ester, hydrochloride, (E)-

Registry Numbers

CAS Registry Number

  • 33445-03-3

Related Registry Number

  • 468-76-8 (Parent)

System Generated Number

  • 0033445033

Molecular Formulas

Molecular Formula

  • C24-H39-N-O4.Cl-H

Molecular Formula Fragments

  • C24-H39-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H39NO4.ClH/c1-15-16(13-21(28)29-12-11-25(5)6)7-8-17-22(15)18(26)14-19-23(2,3)20(27)9-10-24(17,19)4;/h13,15,17,19-20,22,27H,7-12,14H2,1-6H3;1H/b16-13+;

InChIKey

UQNFMXUHEOLGBU-ZUQRMPMESA-N

Smiles

C1([C@@H]2[C@@H]([C@@]3([C@@H](C(C)(C)[C@@H](CC3)O)C1)C)CC\C(=C/C(=O)OCCN(C)C)[C@@H]2C)=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 806ug/kg (0.806mg/kg)   Journal of the American Pharmaceutical Association. Vol. 27, Pg. 9, 1938.
dog LDLo intravenous 400ug/kg (0.4mg/kg) CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Journal of Medicinal Chemistry. Vol. 10, Pg. 582, 1967.
guinea pig LDLo intravenous 2640ug/kg (2.64mg/kg)   Acta Pharmaceutica Suecica. Vol. 13, Pg. 35, 1976.