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Substance Name: 1-Penten-3-one, 1-(1,3-benzodioxol-5-yl)-5-(dimethylamino)-4-((dimethylamino)methyl)-, dihydrochloride, (E)-
RN: 97241-91-3
InChIKey: HFTKXAKDBUBTJX-WVKUUHRJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H24-N2-O3.2Cl-H

Molecular Weight

  • 377.3094
 
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Names and Synonyms

Synonym

  • (E)-1-(1,3-Benzodioxol-5-yl)-5-(dimethylamino)-4-((dimethylamino)methyl)-1-penten-3-one 2HCl

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 97241-91-3

System Generated Number

  • 0097241913

Molecular Formulas

Molecular Formula

  • C17-H24-N2-O3.2Cl-H

Molecular Formula Fragments

  • C17-H24-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H24N2O3.2ClH/c1-18(2)10-14(11-19(3)4)15(20)7-5-13-6-8-16-17(9-13)22-12-21-16;;/h5-9,14H,10-12H2,1-4H3;2*1H/b7-5+;;

InChIKey

HFTKXAKDBUBTJX-WVKUUHRJSA-N

Smiles

C(C(=O)/C=C/c1cc2c(OCO2)cc1)(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.