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Substance Name: 5H-Benzocycloheptene-2-propanoic acid, 6,7,8,9-tetrahydro-alpha-amino-, hydrochloride
RN: 41737-38-6
InChIKey: STAIBKSKLQNTPH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H19-N-O2.Cl-H

Molecular Weight

  • 269.77
 
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Names and Synonyms

Synonyms

  • 6,7,8,9-Tetrahydro-alpha-amino-5H-benzocycloheptene-2-propanoic acid hydrochloride
  • beta-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)-alpha-alanine hydrochloride

Systematic Name

  • 5H-Benzocycloheptene-2-propanoic acid, 6,7,8,9-tetrahydro-alpha-amino-, hydrochloride

Registry Numbers

CAS Registry Number

  • 41737-38-6

System Generated Number

  • 0041737386

Molecular Formulas

Molecular Formula

  • C14-H19-N-O2.Cl-H

Molecular Formula Fragments

  • C14-H19-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H19NO2.ClH/c15-13(14(16)17)9-10-6-7-11-4-2-1-3-5-12(11)8-10;/h6-8,13H,1-5,9,15H2,(H,16,17);1H

InChIKey

STAIBKSKLQNTPH-UHFFFAOYSA-N

Smiles

c12c(ccc(c1)C[C@@H](C(O)=O)[NH3+])CCCCC2.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2500mg/kg (2500mg/kg) BEHAVIORAL: SLEEP Collection of Czechoslovak Chemical Communications. Vol. 37, Pg. 3136, 1972.