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Substance Name: Cyclopropanecarboxylic acid, 2-(aminomethyl)-1-(4-methylphenyl)-, 1-methylethyl ester, (Z)-, monohydrochloride
RN: 105310-31-4
InChIKey: ZPVDPSQRZGDIRI-PBCQUBLHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H21-N-O2.Cl-H

Molecular Weight

  • 283.797
 
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Names and Synonyms

Synonym

  • (Z)-2-(Aminomethyl)-1-(4-methylphenyl)cyclopropanecarboxylic acid 1-methylethyl ester HCl

Systematic Name

  • Cyclopropanecarboxylic acid, 2-(aminomethyl)-1-(4-methylphenyl)-, 1-methylethyl ester, (Z)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 105310-31-4

System Generated Number

  • 0105310314

Molecular Formulas

Molecular Formula

  • C15-H21-N-O2.Cl-H

Molecular Formula Fragments

  • C15-H21-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H21NO2.ClH/c1-10(2)18-14(17)15(8-13(15)9-16)12-6-4-11(3)5-7-12;/h4-7,10,13H,8-9,16H2,1-3H3;1H/t13-,15+;/m1./s1

InChIKey

ZPVDPSQRZGDIRI-PBCQUBLHSA-N

Smiles

c1([C@@]2([C@H](C[NH3+])C2)C(OC(C)C)=O)ccc(C)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 318, 1987.