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Substance Name: Urea, (5-(5-(4-(2-methoxyphenyl)-1-piperazinyl)-1-oxopentyl)-2-(methylthio)phenyl)-
RN: 100078-01-1
InChIKey: WIDHQVYDOHHBFY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H32-N4-O3-S

Molecular Weight

  • 456.6078
 
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Names and Synonyms

Synonyms

  • (5-(5-(4-(2-Methoxyphenyl)-1-piperazinyl)-1-oxopentyl)-2-(methylthio)phenyl)urea
  • 5-(5-(4-(2-Methoxyphenyl)-1-piperazinyl)valeryl)-2-methylsulfinyl-N-carbamoylaniline

Systematic Name

  • Urea, (5-(5-(4-(2-methoxyphenyl)-1-piperazinyl)-1-oxopentyl)-2-(methylthio)phenyl)-

Registry Numbers

CAS Registry Number

  • 100078-01-1

System Generated Number

  • 0100078011

Structure Descriptors

InChI

1S/C24H32N4O3S/c1-31-22-9-4-3-7-20(22)28-15-13-27(14-16-28)12-6-5-8-21(29)18-10-11-23(32-2)19(17-18)26-24(25)30/h3-4,7,9-11,17H,5-6,8,12-16H2,1-2H3,(H3,25,26,30)

InChIKey

WIDHQVYDOHHBFY-UHFFFAOYSA-N

Smiles

COc1ccccc1N2CCN(CC2)CCCCC(=O)c3ccc(c(c3)NC(=O)N)SC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 3gm/kg (3000mg/kg)   United States Patent Document. Vol. #4613598,