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Substance Name: 2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-
RN: 85127-92-0
InChIKey: JXPMOHORRCTRTH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H25-N3-O2

Molecular Weight

  • 315.4145
 
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Names and Synonyms

Synonyms

  • 3-(tert-Butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-2-propanol
  • BRN 5596192

Systematic Name

  • 2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-

Registry Numbers

CAS Registry Number

  • 85127-92-0

System Generated Number

  • 0085127920

Structure Descriptors

InChI

1S/C18H25N3O2/c1-14(21-11-7-10-20-21)16-8-5-6-9-17(16)23-13-15(22)12-19-18(2,3)4/h5-11,15,19,22H,1,12-13H2,2-4H3

InChIKey

JXPMOHORRCTRTH-UHFFFAOYSA-N

Smiles

CC(C)(C)NCC(COc1ccccc1C(=C)n2cccn2)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 22300ug/kg (22.3mg/kg)   Journal of Medicinal Chemistry. Vol. 27, Pg. 1142, 1984.