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Substance Name: Cyclopropanecarboxamide, 2-(aminomethyl)-N,N-dihexyl-1-phenyl-, cis-, ethanedioate (1:1)
RN: 105310-96-1
InChIKey: RDCPUFAKGRRBMA-IUQUCOCYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H38-N2-O.C2-H2-O4

Molecular Weight

  • 448.6
 
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Names and Synonyms

Synonym

  • cis-2-(Aminomethyl)-N,N-dihexyl-1-phenylcyclopropanecarboxamide ethanedioate (1:1)

Systematic Name

  • Cyclopropanecarboxamide, 2-(aminomethyl)-N,N-dihexyl-1-phenyl-, cis-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 105310-96-1

System Generated Number

  • 0105310961

Molecular Formulas

Molecular Formula

  • C23-H38-N2-O.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C23-H38-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C23H38N2O.C2H2O4/c1-3-5-7-12-16-25(17-13-8-6-4-2)22(26)23(18-21(23)19-24)20-14-10-9-11-15-20;3-1(4)2(5)6/h9-11,14-15,21H,3-8,12-13,16-19,24H2,1-2H3;(H,3,4)(H,5,6)/t21-,23-;/m0./s1

InChIKey

RDCPUFAKGRRBMA-IUQUCOCYSA-N

Smiles

CCCCCCN(CCCCCC)C(=O)[C@@]1(C[C@H]1CN)c2ccccc2.C(=O)(C(=O)O)O

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.