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Substance Name: 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-, fumarate (1:1)
RN: 56071-32-0
InChIKey: KJANWUMJCOSXBA-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H19-N-O.C4-H4-O4

Molecular Weight

  • 321.371
 
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Names and Synonyms

Synonyms

  • 5-Isopropylamino-2,3,4,5-tetrahydro-1-benzoxepine fumarate
  • N-Isopropyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine fumarate (1:1)

Systematic Name

  • 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-, fumarate (1:1)

Registry Numbers

CAS Registry Number

  • 56071-32-0

System Generated Number

  • 0056071320

Molecular Formulas

Molecular Formula

  • C13-H19-N-O.C4-H4-O4

Molecular Formula Fragments

  • C13-H19-N-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C13H19NO.C4H4O4/c1-10(2)14-12-7-5-9-15-13-8-4-3-6-11(12)13;5-3(6)1-2-4(7)8/h3-4,6,8,10,12,14H,5,7,9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

KJANWUMJCOSXBA-WLHGVMLRSA-N

Smiles

c12c(cccc2)OCCC[C@@H]1[NH2+]C(C)C.C(=C\C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Indian Journal of Chemistry. Vol. 13, Pg. 1, 1975.