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Substance Name: 2-Propanol, 1-(2,3-dichloro-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-3-(isopropylamino)-, oxalate, hydrate (2:4:1)
RN: 90742-89-5
InChIKey: OTTZOMXYEZUDEQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-Cl2-N3-O2.2C2-H2-O4.1/2H2-O

Molecular Weight

  • 1118.7058
 
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Names and Synonyms

  • 2-Propanol, 1-(2,3-dichloro-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-3-(isopropylamino)-, oxalate, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 90742-89-5

System Generated Number

  • 0090742895

Molecular Formulas

Molecular Formula

  • C17-H21-Cl2-N3-O2.2C2-H2-O4.1/2H2-O

Molecular Formula Fragments

  • C17-H21-Cl2-N3-O2
  • C2-H2-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C17H21Cl2N3O2.4C2H2O4.H2O/c2*1-11(2)21-8-13(23)9-24-17-14(4-5-15(18)16(17)19)12(3)22-7-6-20-10-22;4*3-1(4)2(5)6;/h2*4-7,10-11,13,21,23H,3,8-9H2,1-2H3;4*(H,3,4)(H,5,6);1H2

InChIKey

OTTZOMXYEZUDEQ-UHFFFAOYSA-N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 33900ug/kg (33.9mg/kg)   Journal of Medicinal Chemistry. Vol. 27, Pg. 1142, 1984.