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Substance Name: 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-8-chloro-N-methyl-, (Z)-2-butenedioate (1:1)
RN: 37483-73-1
InChIKey: WIHMAJXAXJCXGP-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H14-Cl-N-O.C4-H4-O4

Molecular Weight

  • 327.762
 
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Names and Synonyms

Synonyms

  • 2,3,4,5-Tetrahydro-8-chloro-N-methyl-1-benzoxepin-5-amine (Z)-2-butenedioate (1:1)
  • 5-Methylamino-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrogen maleate

Systematic Name

  • 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-8-chloro-N-methyl-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 37483-73-1

System Generated Number

  • 0037483731

Molecular Formulas

Molecular Formula

  • C11-H14-Cl-N-O.C4-H4-O4

Molecular Formula Fragments

  • C11-H14-Cl-N-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C11H14ClNO.C4H4O4/c1-13-10-3-2-6-14-11-7-8(12)4-5-9(10)11;5-3(6)1-2-4(7)8/h4-5,7,10,13H,2-3,6H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

WIHMAJXAXJCXGP-BTJKTKAUSA-N

Smiles

c12c(cc(Cl)cc2)OCCC[C@@H]1[NH2+]C.C(=C/C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 37, Pg. 868, 1972.