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Substance Name: 5H-Benzocycloheptene-2-methanol, 6,7,8,9-tetrahydro-alpha-(((phenylmethyl)amino)methyl)-, dihydrochloride
RN: 42882-72-4
InChIKey: BYWKFQFPZOQQFL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-N-O.2Cl-H

Molecular Weight

  • 331.884
 
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Names and Synonyms

Synonym

  • 6,7,8,9-Tetrahydro-alpha-(((phenylmethyl)amino)methyl)-5H-benzocycloheptene-2-methanol 2HCl

Systematic Name

  • 5H-Benzocycloheptene-2-methanol, 6,7,8,9-tetrahydro-alpha-(((phenylmethyl)amino)methyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 42882-72-4

System Generated Number

  • 0042882724

Molecular Formulas

Molecular Formula

  • C20-H25-N-O.2Cl-H

Molecular Formula Fragments

  • C20-H25-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H25NO.ClH/c22-20(15-21-14-16-7-3-1-4-8-16)19-12-11-17-9-5-2-6-10-18(17)13-19;/h1,3-4,7-8,11-13,20-22H,2,5-6,9-10,14-15H2;1H

InChIKey

BYWKFQFPZOQQFL-UHFFFAOYSA-N

Smiles

c12c(ccc(c1)[C@@H](C[NH2+]Cc1ccccc1)O)CCCCC2.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 37, Pg. 3501, 1972.