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Substance Name: Hexanoic acid, 6-((2-(acetylamino)-3-(4-methoxyphenyl)-1-oxo-2-propenyl)amino)-
RN: 172798-52-6
InChIKey: PUJJFYRIUAKNBK-VBKFSLOCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H24-N2-O5

Molecular Weight

  • 348.3966
 
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Names and Synonyms

Synonym

  • 6-((2-(Acetylamino)-3-(4-methoxyphenyl)-1-oxo-2-propenyl)amino)hexanoic acid

Systematic Name

  • Hexanoic acid, 6-((2-(acetylamino)-3-(4-methoxyphenyl)-1-oxo-2-propenyl)amino)-

Registry Numbers

CAS Registry Number

  • 172798-52-6

System Generated Number

  • 0172798526

Structure Descriptors

InChI

1S/C18H24N2O5/c1-13(21)20-16(12-14-7-9-15(25-2)10-8-14)18(24)19-11-5-3-4-6-17(22)23/h7-10,12H,3-6,11H2,1-2H3,(H,19,24)(H,20,21)(H,22,23)/b16-12-

InChIKey

PUJJFYRIUAKNBK-VBKFSLOCSA-N

Smiles

CC(=O)N/C(=C\c1ccc(cc1)OC)/C(=O)NCCCCCC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 3gm/kg (3000mg/kg)   Pharmaceutical Chemistry Journal Vol. 29, Pg. 200, 1995.