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Substance Name: 1-Adamantaneethylamine, 2-bromo-N-methyl-, maleate
RN: 59177-64-9
InChIKey: PDIGNNHNZDWKHR-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H22-Br-N.C4-H4-O4

Molecular Weight

  • 388.299
 
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Names and Synonyms

Synonym

  • 2-Bromo-N-methyl-1-adamantaneethylamine maleate

Systematic Name

  • 1-Adamantaneethylamine, 2-bromo-N-methyl-, maleate

Registry Numbers

CAS Registry Number

  • 59177-64-9

System Generated Number

  • 0059177649

Molecular Formulas

Molecular Formula

  • C13-H22-Br-N.C4-H4-O4

Molecular Formula Fragments

  • C13-H22-Br-N
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C13H22BrN.C4H4O4/c1-3-15(2)13-7-9-4-10(8-13)6-11(5-9)12(13)14;5-3(6)1-2-4(7)8/h9-12H,3-8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

PDIGNNHNZDWKHR-BTJKTKAUSA-N

Smiles

C1[C@@H]2CC3C[C@@H]1CC([N@@](CC)C)([C@@H]3Br)C2.C(=C/C(O)=O)\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 155mg/kg (155mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 967, 1976.
mouse LD50 oral 621mg/kg (621mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 967, 1976.