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Substance Name: 1-Penten-3-one, 5-(dimethylamino)-4-((dimethylamino)methyl)-1-(4-hydroxyphenyl)-, dihydrochloride, (E)-
RN: 97241-93-5
InChIKey: CMQLANAUSUWJIS-WRQJSNHTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H24-N2-O2.2Cl-H

Molecular Weight

  • 349.2994
 
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Names and Synonyms

Synonym

  • (E)-5-(Dimethylamino)-4-((dimethylamino)methyl)-1-(4-hydroxyphenyl)-1-penten-3-one 2HCl

Systematic Name

  • 1-Penten-3-one, 5-(dimethylamino)-4-((dimethylamino)methyl)-1-(4-hydroxyphenyl)-, dihydrochloride, (E)-

Registry Numbers

CAS Registry Number

  • 97241-93-5

System Generated Number

  • 0097241935

Molecular Formulas

Molecular Formula

  • C16-H24-N2-O2.2Cl-H

Molecular Formula Fragments

  • C16-H24-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H24N2O2.2ClH/c1-17(2)11-14(12-18(3)4)16(20)10-7-13-5-8-15(19)9-6-13;;/h5-10,14,19H,11-12H2,1-4H3;2*1H/b10-7+;;

InChIKey

CMQLANAUSUWJIS-WRQJSNHTSA-N

Smiles

C(C(=O)/C=C/c1ccc(cc1)O)(CN(C)C)CN(C)C.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo unreported 6250ug/kg (6.25mg/kg)   Neoplasma. Vol. 32, Pg. 85, 1985.
mouse LDLo unreported 6250ug/kg (6.25mg/kg)   Neoplasma. Vol. 32, Pg. 85, 1985.