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Substance Name: 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-N-isopropyl-7-methyl-, fumarate (1:1)
RN: 56071-34-2
InChIKey: TXFCQMYQVCRONG-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H21-N-O.C4-H4-O4

Molecular Weight

  • 335.397
 
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Names and Synonyms

Synonyms

  • 5-Isopropylamino-7-methyl-2,3,4,5-tetrahydro-1-benzoxepine fumarate
  • N-Isopropyl-7-methyl-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-7-methyl-, fumarate (1:1)

Registry Numbers

CAS Registry Number

  • 56071-34-2

System Generated Number

  • 0056071342

Molecular Formulas

Molecular Formula

  • C14-H21-N-O.C4-H4-O4

Molecular Formula Fragments

  • C14-H21-N-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C14H21NO.C4H4O4/c1-10(2)15-13-5-4-8-16-14-7-6-11(3)9-12(13)14;5-3(6)1-2-4(7)8/h6-7,9-10,13,15H,4-5,8H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

TXFCQMYQVCRONG-WLHGVMLRSA-N

Smiles

c12c(ccc(C)c2)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) BEHAVIORAL: ATAXIA

BEHAVIORAL: TREMOR
Indian Journal of Chemistry. Vol. 13, Pg. 1, 1975.