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Substance Name: Benzenemethanamine, N-(3-methyl-2-butenyl)-alpha-((2,3,3-trimethyl-1-cyclopenten-1-yl)methyl)-, hydrochloride
RN: 148129-87-7
InChIKey: FKBDKTXJEIEXQA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H31-N.Cl-H

Molecular Weight

  • 333.9438
 
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Names and Synonyms

Synonym

  • N-(3-Metilbut 2-en-1-il)-1-fenil-2-(2,3,3-trimetil-ciclopent-2-en-1-il)etilammina cloridrato

Systematic Name

  • Benzenemethanamine, N-(3-methyl-2-butenyl)-alpha-((2,3,3-trimethyl-1-cyclopenten-1-yl)methyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 148129-87-7

System Generated Number

  • 0148129877

Molecular Formulas

Molecular Formula

  • C21-H31-N.Cl-H

Molecular Formula Fragments

  • C21-H31-N
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H31N.ClH/c1-16(2)12-14-22-20(18-9-7-6-8-10-18)15-19-11-13-21(4,5)17(19)3;/h6-10,12,20,22H,11,13-15H2,1-5H3;1H

InChIKey

FKBDKTXJEIEXQA-UHFFFAOYSA-N

Smiles

CC1=C(CCC1(C)C)CC(c2ccccc2)NCC=C(C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 432mg/kg (432mg/kg)   Bollettino Chimico Farmaceutico. Vol. 131, Pg. 409, 1992.