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Substance Name: 2-Cyclohexen-1-one, 5,5-dimethyl-3-(3'-methoxyanilino)-2-(phenethylmethylamino)methyl-, monohydrochloride
RN: 51408-20-9
InChIKey: RUCWNPJXAYIKPS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H32-N2-O2.Cl-H

Molecular Weight

  • 429.0007
 
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Names and Synonyms

Synonym

  • MK 1-907 hydrochloride

Systematic Name

  • 2-Cyclohexen-1-one, 5,5-dimethyl-3-(3'-methoxyanilino)-2-(phenethylmethylamino)methyl-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 51408-20-9

System Generated Number

  • 0051408209

Molecular Formulas

Molecular Formula

  • C25-H32-N2-O2.Cl-H

Molecular Formula Fragments

  • C25-H32-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H32N2O2.ClH/c1-25(2)16-23(26-20-11-8-12-21(15-20)29-4)22(24(28)17-25)18-27(3)14-13-19-9-6-5-7-10-19;/h5-12,15,26H,13-14,16-18H2,1-4H3;1H

InChIKey

RUCWNPJXAYIKPS-UHFFFAOYSA-N

Smiles

CC1(CC(=C(C(=O)C1)CN(C)CCc2ccccc2)Nc3cccc(c3)OC)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 195mg/kg (195mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 70, Pg. 153P, 1974.