Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: N-(Chloroacetyl)-N-((4-methylphenyl)sulfonyl)-L-phenylalanine
RN: 102516-65-4
UNII: 7K9602530G
InChIKey: FQGPFIVHBQIVKG-INIZCTEOSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C18-H18-Cl-N-O5-S

Molecular Weight

  • 395.8612
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • N-(Chloroacetyl)-N-((4-methylphenyl)sulfonyl)-L-phenylalanine

Synonyms

  • N-(Chloroacetyl)-3-phenyl-N-(p-tolylsulfonyl)alanine
  • N-Tosyl-L-phenylalanine chloromethyl ketone
  • Tosyl-L-phenylalanylchloromethyl ketone
  • UNII-7K9602530G

Systematic Name

  • Alanine, N-(chloroacetyl)-3-phenyl-N-(p-tolylsulfonyl)-

Registry Numbers

CAS Registry Number

  • 102516-65-4

FDA UNII

  • 7K9602530G

System Generated Number

  • 0102516654

Structure Descriptors

InChI

1S/C18H18ClNO5S/c1-13-7-9-15(10-8-13)26(24,25)20(17(21)12-19)16(18(22)23)11-14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3,(H,22,23)/t16-/m0/s1

InChIKey

FQGPFIVHBQIVKG-INIZCTEOSA-N

Smiles

Cc1ccc(cc1)S(=O)(=O)N([C@@H](Cc2ccccc2)C(=O)O)C(=O)CCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravaginal 75mg/kg (75mg/kg)   Journal of Pharmaceutical Sciences. Vol. 68, Pg. 696, 1979.
mouse LD50 unreported 83mg/kg (83mg/kg)   Journal of Pharmaceutical Sciences. Vol. 67, Pg. 1726, 1978.