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Substance Name: 2-Propanol, 3-(tert-butylamino)-1-(2,4-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-
RN: 85128-21-8
InChIKey: SOHQLNWCVGOCAY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H29-N3-O2

Molecular Weight

  • 343.4681
 
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Names and Synonyms

Synonyms

  • 3-(tert-Butylamino)-1-(2,4-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-2-propanol
  • BRN 5589260

Systematic Name

  • 2-Propanol, 3-(tert-butylamino)-1-(2,4-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-

Registry Numbers

CAS Registry Number

  • 85128-21-8

System Generated Number

  • 0085128218

Structure Descriptors

InChI

1S/C20H29N3O2/c1-14-9-15(2)19(25-12-17(24)11-22-20(4,5)6)18(10-14)16(3)23-8-7-21-13-23/h7-10,13,17,22,24H,3,11-12H2,1-2,4-6H3

InChIKey

SOHQLNWCVGOCAY-UHFFFAOYSA-N

Smiles

Cc1cc(c(c(c1)C(=C)n2ccnc2)OCC(CNC(C)(C)C)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 15900ug/kg (15.9mg/kg)   Journal of Medicinal Chemistry. Vol. 27, Pg. 1142, 1984.