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Substance Name: Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-N-(L-lysyl-L-valyl)-, hydrochloride
RN: 62978-50-1
InChIKey: CECJWINHHPUTMC-OCIDDWSYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H39-Cl2-N5-O4.Cl-H

Molecular Weight

  • 568.97
 
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Names and Synonyms

Synonyms

  • 3-(p-(Bis(2-chloroethyl)amino)phenyl)-N-(L-lysyl-L-valyl)alanine hydrochloride
  • L-Lysyl-L-valylsarcolysine hydrochloride

Systematic Name

  • Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-N-(L-lysyl-L-valyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 62978-50-1

System Generated Number

  • 0062978501

Molecular Formulas

Molecular Formula

  • C24-H39-Cl2-N5-O4.Cl-H

Molecular Formula Fragments

  • C24-H39-Cl2-N5-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H39Cl2N5O4.ClH/c1-16(2)21(30-22(32)19(28)5-3-4-12-27)23(33)29-20(24(34)35)15-17-6-8-18(9-7-17)31(13-10-25)14-11-26;/h6-9,16,19-21H,3-5,10-15,27-28H2,1-2H3,(H,29,33)(H,30,32)(H,34,35);1H/t19-,20-,21-;/m0./s1

InChIKey

CECJWINHHPUTMC-OCIDDWSYSA-N

Smiles

CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(=O)O)NC(=O)[C@H](CCCCN)N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 10, Pg. 996, 1976.