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Substance Name: Alanine, beta-(p-(bis(2-chloroethyl)amino)benzylsulfonyl)-, L-
RN: 6940-98-3
InChIKey: YDMMNUBREJUGOU-UHFFFAOYSA-N

Molecular Formula

  • C14-H20-Cl2-N2-O4-S

Molecular Weight

  • 383.294
 
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Names and Synonyms

Synonyms

  • 3-(p-(Bis(2-chloroethyl)amino)benzylsulfonyl)-L-alanine
  • 3-p-Bis(2-chloroethyl)amino benzylsulfonyl-L-alanine
  • Alanine, beta-(p-(bis(2-chloroethyl)amino)benzylsulfonyl)-, L-
  • BRN 2821420
  • NSC 60431

Systematic Names

  • Alanine, beta-(p-(bis(2-chloroethyl)amino)benzylsulfonyl)-, L-
  • L-Alanine, 3-(((4-(bis(2-chloroethyl)amino)phenyl)methyl)sulfonyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 6940-98-3

System Generated Number

  • 0006940983

Structure Descriptors

InChI

1S/C14H20Cl2N2O4S/c15-5-7-18(8-6-16)12-3-1-11(2-4-12)9-23(21,22)10-13(17)14(19)20/h1-4,13H,5-10,17H2,(H,19,20)

InChIKey

YDMMNUBREJUGOU-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 5600ug/kg (5.6mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00684,