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Substance Name: 2-Propenamide, 3-(4-(bis(2-chloroethyl)amino)phenyl)-2-cyano-N-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-
RN: 77898-37-4
InChIKey: IGYUHHCFWFPJOD-OQLLNIDSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-Cl2-N3-O4

Molecular Weight

  • 416.3027
 
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Names and Synonyms

Synonym

  • Trihydroxy-tert-butylamide of dichloroethyl-aminobenzylidenecyanoacetic acid

Systematic Name

  • 2-Propenamide, 3-(4-(bis(2-chloroethyl)amino)phenyl)-2-cyano-N-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-

Registry Numbers

CAS Registry Number

  • 77898-37-4

System Generated Number

  • 0077898374

Structure Descriptors

InChI

1S/C18H23Cl2N3O4/c19-5-7-23(8-6-20)16-3-1-14(2-4-16)9-15(10-21)17(27)22-18(11-24,12-25)13-26/h1-4,9,24-26H,5-8,11-13H2,(H,22,27)/b15-9+

InChIKey

IGYUHHCFWFPJOD-OQLLNIDSSA-N

Smiles

c1cc(ccc1/C=C(\C#N)/C(=O)NC(CO)(CO)CO)N(CCCl)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported > 1gm/kg (1000mg/kg)   U.S.S.R. Patent Document. Vol. #0677284,
rat LD50 unreported > 1gm/kg (1000mg/kg)   U.S.S.R. Patent Document. Vol. #0677284,