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Substance Name: 2-Propanol, 3-(isopropylamino)-1-(6-(1-(1H-1,2,4-triazol-1-yl)vinyl)phenoxy)-, oxalate
RN: 85128-01-4
InChIKey: HJVPEXRRHSBKMG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-N4-O2.C2-H2-O4

Molecular Weight

  • 392.4096
 
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Names and Synonyms

Synonym

  • 3-(Isopropylamino)-1-(6-(1-(1H-1,2,4-triazol-1-yl)vinyl)phenoxy)-2-propanol oxalate

Systematic Name

  • 2-Propanol, 3-(isopropylamino)-1-(6-(1-(1H-1,2,4-triazol-1-yl)vinyl)phenoxy)-, oxalate

Registry Numbers

CAS Registry Number

  • 85128-01-4

System Generated Number

  • 0085128014

Molecular Formulas

Molecular Formula

  • C16-H22-N4-O2.C2-H2-O4

Molecular Formula Fragments

  • C16-H22-N4-O2
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H22N4O2.C2H2O4/c1-12(2)18-8-14(21)9-22-16-7-5-4-6-15(16)13(3)20-11-17-10-19-20;3-1(4)2(5)6/h4-7,10-12,14,18,21H,3,8-9H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

HJVPEXRRHSBKMG-UHFFFAOYSA-N

Smiles

CC(C)NCC(COc1ccccc1C(=C)n2cncn2)O.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 36400ug/kg (36.4mg/kg)   Journal of Medicinal Chemistry. Vol. 27, Pg. 1142, 1984.