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Substance Name: 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(4-nitrophenoxy)-, cis-, (E)-2-butenedioate (1:1)
RN: 72575-46-3
InChIKey: MQOUFTLPLISBNK-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-N2-O3.C4-H4-O4

Molecular Weight

  • 442.465
 
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Names and Synonyms

Synonyms

  • cis-5-(p-Nitrophenyloxy)-7-dimethylamino-6,7,8,9-tetrahydro-5H-benzocycloheptene fumarate
  • cis-6,7,8,9-Tetrahydro-N,N-dimethyl-5-(4-nitrophenoxy)-5H-benzocyclohepten-7-amine fumarate
  • RU-25,591

Systematic Name

  • 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(4-nitrophenoxy)-, cis-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 72575-46-3

System Generated Number

  • 0072575463

Molecular Formulas

Molecular Formula

  • C19-H22-N2-O3.C4-H4-O4

Molecular Formula Fragments

  • C19-H22-N2-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H22N2O3.C4H4O4/c1-20(2)16-8-7-14-5-3-4-6-18(14)19(13-16)24-17-11-9-15(10-12-17)21(22)23;5-3(6)1-2-4(7)8/h3-6,9-12,16,19H,7-8,13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

MQOUFTLPLISBNK-WLHGVMLRSA-N

Smiles

c12[C@@H](Oc3ccc([N+](=O)[O-])cc3)C[C@@H]([NH+](C)C)CCc1cccc2.C(=C\C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   European Patent Application. Vol. #0002156,
rat LD50 oral 534mg/kg (534mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL) Life Sciences. Vol. 28, Pg. 1939, 1981.