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Substance Name: 2-Buten-1-one, 1-(3-fluorophenyl)-3-((2-(4-methoxyphenyl)ethyl)amino)-
RN: 76691-07-1
InChIKey: PPBBMWZGUBKCIZ-OWBHPGMISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H20-F-N-O2

Molecular Weight

  • 313.37
 
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Names and Synonyms

Synonym

  • 1-(3-Fluorophenyl)-3-((2-(4-methoxyphenyl)ethyl)amino)-2-buten-1-one

Systematic Name

  • 2-Buten-1-one, 1-(3-fluorophenyl)-3-((2-(4-methoxyphenyl)ethyl)amino)-

Registry Numbers

CAS Registry Number

  • 76691-07-1

System Generated Number

  • 0076691071

Structure Descriptors

InChI

1S/C19H20FNO2/c1-14(12-19(22)16-4-3-5-17(20)13-16)21-11-10-15-6-8-18(23-2)9-7-15/h3-9,12-13,21H,10-11H2,1-2H3/b14-12-

InChIKey

PPBBMWZGUBKCIZ-OWBHPGMISA-N

Smiles

C/C(=C/C(=O)c1cccc(c1)F)/NCCc2ccc(cc2)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 19, Pg. 695, 1980.