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Substance Name: 3-Oxetanemethylamine, 3-((2,4-dichlorophenoxy)methyl)-N,N-dimethyl-, maleate
RN: 98145-72-3
InChIKey: VOYKBLSRTVHSHZ-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H17-Cl2-N-O2.C4-H4-O4

Molecular Weight

  • 406.2599
 
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Names and Synonyms

Synonyms

  • 3-((2,4-Dichlorophenoxy)methyl)-N,N-dimethyl-3-oxetanemethylamine maleate
  • H.C. 6016

Systematic Name

  • 3-Oxetanemethylamine, 3-((2,4-dichlorophenoxy)methyl)-N,N-dimethyl-, maleate

Registry Numbers

CAS Registry Number

  • 98145-72-3

System Generated Number

  • 0098145723

Molecular Formulas

Molecular Formula

  • C13-H17-Cl2-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C13-H17-Cl2-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C13H17Cl2NO2.C4H4O4/c1-16(2)6-13(7-17-8-13)9-18-12-4-3-10(14)5-11(12)15;5-3(6)1-2-4(7)8/h3-5H,6-9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

VOYKBLSRTVHSHZ-BTJKTKAUSA-N

Smiles

CN(C)CC1(COC1)COc2ccc(cc2Cl)Cl.C(=C\C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 120mg/kg (120mg/kg)   Therapie. Vol. 20, Pg. 409, 1965.
mouse LD50 unreported 126mg/kg (126mg/kg)   Therapie. Vol. 19, Pg. 689, 1964.