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Substance Name: Alanine, 3-(p((bis(2-chloroethyl)amino)methyl)phenyl)-, dihydrochloride
RN: 2185-97-9
InChIKey: YJUGYTKTAOZZRD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H20-Cl2-N2-O2.2Cl-H

Molecular Weight

  • 392.152
 
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Names and Synonyms

Synonyms

  • AT-290
  • p-Bis(2-chloroethyl)aminomethyl-phenylalanine dihydrochloride

Systematic Name

  • Alanine, 3-(p((bis(2-chloroethyl)amino)methyl)phenyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 2185-97-9

System Generated Number

  • 0002185979

Molecular Formulas

Molecular Formula

  • C14-H20-Cl2-N2-O2.2Cl-H

Molecular Formula Fragments

  • C14-H20-Cl2-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H20Cl2N2O2.2ClH/c15-5-7-18(8-6-16)10-12-3-1-11(2-4-12)9-13(17)14(19)20;;/h1-4,13H,5-10,17H2,(H,19,20);2*1H

InChIKey

YJUGYTKTAOZZRD-UHFFFAOYSA-N

Smiles

c1(C[C@@H](C(O)=O)[NH3+])ccc(C[NH+](CCCl)CCCl)cc1.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4mg/kg (4mg/kg)   Scientia Sinica. Vol. 13, Pg. 789, 1964.