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Substance Name: 5H-Benzocyclohepten-6-amine, 6,7,8,9-tetrahydro-N-methyl-2,3,4-trimethoxy-, oxalate (2:1)
RN: 50823-59-1
InChIKey: RTWCYHHNRNFUPF-UHFFFAOYSA-O

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H23-N-O3.1/2C2-H2-O4

Molecular Weight

  • 621.743
 
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Names and Synonyms

Synonyms

  • 6-(N-Methyl)amino-2,3,4-trimethoxybenzocycloheptane oxalate
  • N-Methyl-2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-amine oxalate (2:1)

Systematic Name

  • 5H-Benzocyclohepten-6-amine, 6,7,8,9-tetrahydro-N-methyl-2,3,4-trimethoxy-, oxalate (2:1)

Registry Numbers

CAS Registry Number

  • 50823-59-1

System Generated Number

  • 0050823591

Molecular Formulas

Molecular Formula

  • C15-H23-N-O3.1/2C2-H2-O4

Molecular Formula Fragments

  • C15-H23-N-O3
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C15H23NO3.C2H2O4/c2*1-16-11-7-5-6-10-8-13(17-2)15(19-4)14(18-3)12(10)9-11;3-1(4)2(5)6/h2*5-7,13-16H,8-9H2,1-4H3;(H,3,4)(H,5,6)/p+1

InChIKey

RTWCYHHNRNFUPF-UHFFFAOYSA-O

Smiles

C=12[C@@H]([C@@H]([C@@H](OC)CC1C=CC=C(C2)[NH+]C)OC)OC.C=12[C@@H]([C@@H]([C@@H](OC)CC1C=CC=C(C2)[NH+]C)OC)OC.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 63100ug/kg (63.1mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1394, 1973.