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Substance Name: 2-Propanol, 1-(cyclohexyloxy)-3-((1,1-dimethyl-2-propynyl)amino)-, ethanedioate (1:1) (salt)
RN: 80768-78-1
InChIKey: KPDIDVQVHVVNGF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H25-N-O2.C2-H2-O4

Molecular Weight

  • 329.3903
 
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Names and Synonyms

Synonyms

  • (Dimethyl-1,1 propyne-2 yl-1)amino-3 cyclohexyloxy-1 propanol-2 oxalate
  • (Dimethyl-1,1 propyne-2 yl-1)amino-3 cyclohexyloxy-1 propanol-2 oxalate [French]
  • 1-(Cyclohexyloxy)-3-((1,1-dimethyl-2-propynyl)amino)-2-propanol ethanedioate (1:1) (salt)
  • 1-(Cyclohexyloxy)-3-((1,1-dimethyl-2-propynyl)amino)-2-propanol oxalate

Systematic Name

  • 2-Propanol, 1-(cyclohexyloxy)-3-((1,1-dimethyl-2-propynyl)amino)-, ethanedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 80768-78-1

System Generated Number

  • 0080768781

Molecular Formulas

Molecular Formula

  • C14-H25-N-O2.C2-H2-O4

Molecular Formula Fragments

  • C14-H25-N-O2
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C14H25NO2.C2H2O4/c1-4-14(2,3)15-10-12(16)11-17-13-8-6-5-7-9-13;3-1(4)2(5)6/h1,12-13,15-16H,5-11H2,2-3H3;(H,3,4)(H,5,6)

InChIKey

KPDIDVQVHVVNGF-UHFFFAOYSA-N

Smiles

CC(C)(C#C)NCC(COC1CCCCC1)O.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 25mg/kg (25mg/kg)   European Patent Application. Vol. #0037777,
mouse LD50 oral 700mg/kg (700mg/kg)   European Patent Application. Vol. #0037777,