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Substance Name: beta-Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-
RN: 1952-98-3
InChIKey: LUZAMFFYXAEQAY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-Cl2-N2-O2

Molecular Weight

  • 305.203
 
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Names and Synonyms

Synonyms

  • 3-(p-(Bis(2-chloroethyl)amino)phenyl)-beta-alanine
  • 4-14-00-01686 (Beilstein Handbook Reference)
  • BRN 2750748
  • Ho-14
  • p-Bis(2-chloroethyl)amino-beta-phenylalanine

Systematic Names

  • beta-Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-
  • Hydrocinnamic acid, beta-amino-p-(bis(2-chloroethyl)amino)- (8CI)

Registry Numbers

CAS Registry Number

  • 1952-98-3

System Generated Number

  • 0001952983

Structure Descriptors

InChI

1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)12(16)9-13(18)19/h1-4,12H,5-9,16H2,(H,18,19)

InChIKey

LUZAMFFYXAEQAY-UHFFFAOYSA-N

Smiles

c1(N(CCCl)CCCl)ccc([C@@H](CC(O)=O)N)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 51mg/kg (51mg/kg)   Scientia Sinica. Vol. 13, Pg. 789, 1964.