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Substance Name: Cassamine hydrochloride
RN: 25390-20-9
UNII: D7P6W99R3N
InChIKey: OCRDACOTQOYSGP-PKBCFCONSA-N

Molecular Formula

  • C25-H39-N-O5.Cl-H

Molecular Weight

  • 470.046
 
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Names and Synonyms

Results Name

  • Cassamine hydrochloride

Name of Substance

  • Cassamine hydrochloride

Synonyms

  • Cassamine HCl
  • Cassamine hydrochloride
  • Methyl 7-(2-(2-(dimethylamino)ethoxy)-2-oxoethylidene)tetradecahydro-1,4a,8-trimethyl-9-oxo-1-phenanthrenecarboxylate hydrochloride, (1S-(1alpha,4aalpha,4bbeta,7E,8beta,8aalpha,10abeta))-
  • UNII-D7P6W99R3N

Systematic Names

  • 1-Phenanthrenecarboxylic acid, 7-(2-(2-(dimethylamino)ethoxy)-2-oxoethylidene)tetradecahydro-1,4a,8-trimethyl-9-oxo-, methyl ester, hydrochloride, (1S-(1alpha,4aalpha,4bbeta,7E,8beta,8aalpha,10abeta))-
  • 8-beta-Podocarpan-16-oic acid, 13-(carboxymethylene)-14-methyl-7-oxo-, 13-(2-(dimethylamino)ethyl) 16-methyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 25390-20-9

FDA UNII

  • D7P6W99R3N

System Generated Number

  • 0025390209

Molecular Formulas

Molecular Formula

  • C25-H39-N-O5.Cl-H

Molecular Formula Fragments

  • C25-H39-N-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H39NO5.ClH/c1-16-17(14-21(28)31-13-12-26(4)5)8-9-18-22(16)19(27)15-20-24(18,2)10-7-11-25(20,3)23(29)30-6;/h14,16,18,20,22H,7-13,15H2,1-6H3;1H/b17-14+;/t16-,18-,20+,22-,24+,25-;/m0./s1

InChIKey

OCRDACOTQOYSGP-PKBCFCONSA-N

Smiles

Cl.COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC\C(=C/C(=O)OCCN(C)C)\[C@H](C)[C@@H]3C(=O)C[C@@H]12

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo intravenous 11mg/kg (11mg/kg)   Acta Pharmaceutica Suecica. Vol. 13, Pg. 35, 1976.