Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)-
RN: 76727-00-9
InChIKey: CSYHFMCPSLCOAJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H33-Cl2-N3-O4

Molecular Weight

  • 498.4477
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)-

Registry Numbers

CAS Registry Number

  • 76727-00-9

System Generated Number

  • 0076727009

Structure Descriptors

InChI

1S/C24H33Cl2N3O4/c25-10-12-29(13-11-26)21-6-4-19(5-7-21)14-20(15-27)22(31)28-23(16-30)17-32-24(33-18-23)8-2-1-3-9-24/h4-7,20,30H,1-3,8-14,16-18H2,(H,28,31)

InChIKey

CSYHFMCPSLCOAJ-UHFFFAOYSA-N

Smiles

c1cc(ccc1CC(C#N)C(=O)NC2(COC3(CCCCC3)OC2)CO)N(CCCl)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 850mg/kg (850mg/kg)   U.S.S.R. Patent Document. Vol. #0707173,
rat LD50 unreported 1gm/kg (1000mg/kg)   U.S.S.R. Patent Document. Vol. #0707173,