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Substance Name: 3-Oxetanemethylamine, 3-((o-chlorophenoxy)methyl)-N,N-dimethyl-, maleate
RN: 1613-13-4
InChIKey: AESSAZHUINDNRQ-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-Cl-N-O2.C4-H4-O4

Molecular Weight

  • 371.815
 
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Names and Synonyms

Synonyms

  • 3-((o-Chlorophenoxy)methyl)-N,N-dimethyl-3-oxetanemethylamine maleate
  • 3-Oxetanemethanamine, 3-((2-chlorophenoxy)methyl)-N,N-dimethyl-, (Z)-2-butenedioate (1:1)
  • H.C. 6022

Systematic Name

  • 3-Oxetanemethylamine, 3-((o-chlorophenoxy)methyl)-N,N-dimethyl-, maleate

Registry Numbers

CAS Registry Number

  • 1613-13-4

System Generated Number

  • 0001613134

Molecular Formulas

Molecular Formula

  • C13-H18-Cl-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C13-H18-Cl-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C13H18ClNO2.C4H4O4/c1-15(2)7-13(8-16-9-13)10-17-12-6-4-3-5-11(12)14;5-3(6)1-2-4(7)8/h3-6H,7-10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

AESSAZHUINDNRQ-BTJKTKAUSA-N

Smiles

C1OCC1(COc1ccccc1Cl)CN(C)C.C(=C/C(O)=O)\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 57mg/kg (57mg/kg)   Therapie. Vol. 20, Pg. 409, 1965.
mouse LD50 unreported 58mg/kg (58mg/kg)   Therapie. Vol. 19, Pg. 689, 1964.