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Substance Name: 1,3-Propanediol, 2-(((4-(bis(2-chloroethyl)amino)phenyl)methylene)amino)-1-(4-nitrophenyl)-
RN: 1952-96-1
InChIKey: FHVCUDOQNNJRIT-YDZHTSKRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-Cl2-N3-O4

Molecular Weight

  • 440.325
 
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Names and Synonyms

Synonyms

  • 1,3-Propanediol, 2-((p-(bis(2-chloroethyl)amino)benzylidene)amino)-1-(p-nitrophenyl)-
  • 1-(p-Nitrophenyl)-2-(p-bis(2-chloroethyl)aminobenzylidine)amino-1,3-propanediol
  • 2-(((4-(Bis(2-chloroethyl)amino)phenyl)methylene)amino)-1-(4-nitrophenyl)-1,3-propanediol
  • 4-14-00-00067 (Beilstein Handbook Reference)
  • AT 16
  • BRN 3178305

Systematic Name

  • 1,3-Propanediol, 2-(((4-(bis(2-chloroethyl)amino)phenyl)methylene)amino)-1-(4-nitrophenyl)-

Registry Numbers

CAS Registry Number

  • 1952-96-1

System Generated Number

  • 0001952961

Structure Descriptors

InChI

1S/C20H23Cl2N3O4/c21-9-11-24(12-10-22)17-5-1-15(2-6-17)13-23-19(14-26)20(27)16-3-7-18(8-4-16)25(28)29/h1-8,13,19-20,26-27H,9-12,14H2/b23-13+

InChIKey

FHVCUDOQNNJRIT-YDZHTSKRSA-N

Smiles

c1cc(\C=N\[C@@H](CO)[C@@H](O)c2ccc([N+]([O-])=O)cc2)ccc1N(CCCl)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 4gm/kg (4000mg/kg)   Scientia Sinica. Vol. 13, Pg. 789, 1964.
rat LD50 oral > 4gm/kg (4000mg/kg)   Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 10, Pg. 22, 1963.