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Substance Name: Coumingine HCl
RN: 22149-23-1
UNII: 405KR8VC10
InChIKey: UPIRBQTUKNVAGI-HVYOZLOQSA-N

Molecular Formula

  • C29-H47-N-O6.Cl-H

Molecular Weight

  • 542.1522
 
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Names and Synonyms

Results Name

  • Coumingine HCl

Name of Substance

  • Coumingine hydrochloride

Synonyms

  • Coumingine hydrochloride
  • UNII-405KR8VC10

Systematic Names

  • 8-beta-Podocarpane-delta(sup 13,alpha)-acetic acid, 3-beta-hydroxy-14-methyl-7-oxo-, 2-(dimethylamino)ethyl ester, 3-hydroxy-3-methylbutyrate (ester), hydrochloride
  • Butanoic acid, 3-hydroxy-3-methyl-, 7-(2-(2-(dimethylamino)ethoxy)-2-oxoethylidene)tetrahydro-1,1,4a,8-tetramethyl-9-oxo-2-phenanthrenyl ester, hydrochloride, (2S-(2alpha,4aalpha,4bbeta,8beta,8aalpha,10aalpha))-

Registry Numbers

CAS Registry Number

  • 22149-23-1

FDA UNII

  • 405KR8VC10

System Generated Number

  • 0022149231

Molecular Formulas

Molecular Formula

  • C29-H47-N-O6.Cl-H

Molecular Formula Fragments

  • C29-H47-N-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H47NO6.ClH/c1-18-19(15-24(32)35-14-13-30(7)8)9-10-20-26(18)21(31)16-22-28(4,5)23(11-12-29(20,22)6)36-25(33)17-27(2,3)34;/h15,18,20,22-23,26,34H,9-14,16-17H2,1-8H3;1H/b19-15+;/t18-,20-,22-,23-,26-,29+;/m0./s1

InChIKey

UPIRBQTUKNVAGI-HVYOZLOQSA-N

Smiles

Cl.C[C@@H]1[C@H]2[C@H](CC/C/1=C\C(=O)OCCN(C)C)[C@@]3(C)CC[C@H](OC(=O)CC(C)(C)O)C(C)(C)[C@@H]3CC2=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 108ug/kg (0.108mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 74, Pg. 223, 1942.
guinea pig LDLo intravenous 1770ug/kg (1.77mg/kg)   Acta Pharmaceutica Suecica. Vol. 13, Pg. 35, 1976.