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Substance Name: 1-Adamantanemethylamine, 2-bromo-N,N-dimethyl-, hydrochloride, hemihydrate
RN: 66969-02-6
InChIKey: SDGBSUMWXQKCFN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H22-Br-N.Cl-H.1/2H2-O

Molecular Weight

  • 635.392
 
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Names and Synonyms

Synonyms

  • 2-Bromo-N,N-dimethyl-1-adamantanemethanamine hydrochloride hemihydrate
  • Adamantane, 2-bromo-1-(N,N-dimethylaminomethyl)-, hydrochloride hemihydrate

Systematic Name

  • 1-Adamantanemethylamine, 2-bromo-N,N-dimethyl-, hydrochloride, hemihydrate

Registry Numbers

CAS Registry Number

  • 66969-02-6

System Generated Number

  • 0066969026

Molecular Formulas

Molecular Formula

  • C13-H22-Br-N.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C13-H22-Br-N
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C13H22BrN.2ClH.H2O/c2*1-15(2)8-13-6-9-3-10(7-13)5-11(4-9)12(13)14;;;/h2*9-12H,3-8H2,1-2H3;2*1H;1H2

InChIKey

SDGBSUMWXQKCFN-UHFFFAOYSA-N

Smiles

Cl.C1[C@@H]2CC3(C[C@@H]1CC([C@@H]3Br)C2)CN(C)C.O.Cl.C1[C@@H]2CC3(C[C@@H]1CC(C2)[C@@H]3Br)CN(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 159mg/kg (159mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 967, 1976.
mouse LD50 oral 413mg/kg (413mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 967, 1976.