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Substance Name: 1-Benzoxepin-5-propanamine, 2,3-dihydro-8-chloro-N,N-dimethyl-, (Z)-2-butenedioate (1:1)
RN: 37480-00-5
InChIKey: DUAWPSFBWIYPKW-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H20-Cl-N-O.C4-H4-O4

Molecular Weight

  • 381.854
 
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Names and Synonyms

Synonyms

  • 2,3-Dihydro-8-chloro-N,N-dimethyl-1-benzoxepin-5-propanamine (Z)-2-butenedioate (1:1)
  • 5-(3-Dimethylaminopropyl)-8-chloro-2,3-dihydro-1-benzoxepin hydrogen maleate

Systematic Name

  • 1-Benzoxepin-5-propanamine, 2,3-dihydro-8-chloro-N,N-dimethyl-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 37480-00-5

System Generated Number

  • 0037480005

Molecular Formulas

Molecular Formula

  • C15-H20-Cl-N-O.C4-H4-O4

Molecular Formula Fragments

  • C15-H20-Cl-N-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C15H20ClNO.C4H4O4/c1-17(2)9-3-5-12-6-4-10-18-15-11-13(16)7-8-14(12)15;5-3(6)1-2-4(7)8/h6-8,11H,3-5,9-10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

DUAWPSFBWIYPKW-BTJKTKAUSA-N

Smiles

c12c(cc(Cl)cc2)OCCC=C1CCC[NH+](C)C.C(=C/C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 80mg/kg (80mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 37, Pg. 868, 1972.