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Substance Name: Malonic acid, ((bis(2-chloroethyl)amino)methyl)nitro-, diethyl ester
RN: 101756-23-4
InChIKey: PTQYBJIFXRFYNK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H20-Cl2-N2-O6

Molecular Weight

  • 359.204
 
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Names and Synonyms

Synonyms

  • ((Bis(2-chloroethyl)amino)methyl)nitromalonic acid diethyl ester
  • Diethyl 2-(bis(2-chloroethyl)aminomethyl)-2-nitromalonate

Systematic Name

  • Malonic acid, ((bis(2-chloroethyl)amino)methyl)nitro-, diethyl ester

Registry Numbers

CAS Registry Number

  • 101756-23-4

System Generated Number

  • 0101756234

Structure Descriptors

InChI

1S/C12H20Cl2N2O6/c1-3-21-10(17)12(16(19)20,11(18)22-4-2)9-15(7-5-13)8-6-14/h3-9H2,1-2H3

InChIKey

PTQYBJIFXRFYNK-UHFFFAOYSA-N

Smiles

C(CN(CCCl)CCCl)(C(OCC)=O)(C(OCC)=O)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 175mg/kg (175mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 8, Pg. 732, 1960.