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Substance Name: 4-Biphenylacetic acid, alpha-ethyl-, compd. with 3-phenylcyclohexylamine (1:1), trans-
ID: DU83316000
InChIKey: ACTNNEWPGSKQAF-VYRVQNKMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H16-O2.C12-H17-N

Molecular Weight

  • 415.5737
 
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Names and Synonyms

Synonyms

  • trans-alpha-Ethyl-4-biphenylacetic acid compd. with 3-phenylcyclohexylamine (1:1)
  • trans-M.G. 13046

Systematic Name

  • 4-Biphenylacetic acid, alpha-ethyl-, compd. with 3-phenylcyclohexylamine (1:1), trans-

Registry Numbers

ID Number

  • NIOSH/DU8331600

System Generated Number

  • DU83316000

Molecular Formulas

Molecular Formula

  • C16-H16-O2.C12-H17-N

Molecular Formula Fragments

  • C12-H17-N
  • C16-H16-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C16H16O2.C12H17N/c1-2-15(16(17)18)14-10-8-13(9-11-14)12-6-4-3-5-7-12;13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h3-11,15H,2H2,1H3,(H,17,18);1-3,5-6,11-12H,4,7-9,13H2/t;11-,12-/m.1/s1

InChIKey

ACTNNEWPGSKQAF-VYRVQNKMSA-N

Smiles

CCC(C(=O)O)c1ccc(cc1)c2ccccc2.N[C@@H]3CCC[C@H](C3)c4ccccc4