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Substance Name: beta-Alanine, N-(p-chlorobenzoyl)-N-2,6-xylyl-
RN: 30544-73-1
InChIKey: QNHUFJPPCSTYBX-UHFFFAOYSA-N

Molecular Formula

  • C18-H18-Cl-N-O3

Molecular Weight

  • 331.797
 
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Names and Synonyms

Synonyms

  • B 66356
  • BRN 2772062
  • N-(p-Chlorobenzoyl)-N-2,6-xylyl-beta-alanine

Systematic Name

  • beta-Alanine, N-(p-chlorobenzoyl)-N-2,6-xylyl-

Registry Numbers

CAS Registry Number

  • 30544-73-1

System Generated Number

  • 0030544731

Structure Descriptors

InChI

1S/C18H18ClNO3/c1-12-4-3-5-13(2)17(12)20(11-10-16(21)22)18(23)14-6-8-15(19)9-7-14/h3-9H,10-11H2,1-2H3,(H,21,22)

InChIKey

QNHUFJPPCSTYBX-UHFFFAOYSA-N

Smiles

N(c1c(cccc1C)C)(C(c1ccc(Cl)cc1)=O)CCC(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 330mg/kg (330mg/kg)   German Offenlegungsschrift Patent Document. Vol. #1917036,