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Substance Name: Cyclohexaneethanamine, N,N-diethyl-1-phenyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
RN: 41760-31-0
InChIKey: PHMHOQUJVXZWFJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H29-N.C6-H8-O7

Molecular Weight

  • 451.5563
 
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Names and Synonyms

Synonyms

  • (Diethylamino-2-ethyl)-1 phenyl-1 cyclohexane citrate
  • (Diethylamino-2-ethyl)-1 phenyl-1 cyclohexane citrate [French]
  • 81-33 R & C
  • Cyclohexaneethylamine, N,N-diethyl-gamma-phenyl-, citrate
  • N,N-Diethyl-1-phenylcyclohexaneethanamine 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Systematic Name

  • Cyclohexaneethanamine, N,N-diethyl-1-phenyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Registry Numbers

CAS Registry Number

  • 41760-31-0

System Generated Number

  • 0041760310

Molecular Formulas

Molecular Formula

  • C18-H29-N.C6-H8-O7

Molecular Formula Fragments

  • C18-H29-N
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C18H29N.C6H8O7/c1-3-19(4-2)16-15-18(13-9-6-10-14-18)17-11-7-5-8-12-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h5,7-8,11-12H,3-4,6,9-10,13-16H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

PHMHOQUJVXZWFJ-UHFFFAOYSA-N

Smiles

CCN(CC)CCC1(CCCCC1)c2ccccc2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 125mg/kg (125mg/kg)   French Medicament Patent Document. Vol. #316M,
mammal (species unspecified) LD50 oral 340mg/kg (340mg/kg)   French Medicament Patent Document. Vol. #316M,