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Substance Name: 1,4-Butanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl-, N,N'-dioxide
RN: 100991-86-4
InChIKey: HDWUFYXLEHTFHM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H22-Cl2-N2-O2

Molecular Weight

  • 273.202
 
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Names and Synonyms

Synonyms

  • 4-04-00-01285 (Beilstein Handbook Reference)
  • BRN 1712109
  • N,N'-Bis(2-chloroethyl)-N,N'-dimethyl-1,4-butanediamine N,N'-dioxide

Systematic Name

  • 1,4-Butanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl-, N,N'-dioxide

Registry Numbers

CAS Registry Number

  • 100991-86-4

System Generated Number

  • 0100991864

Structure Descriptors

InChI

1S/C10H22Cl2N2O2/c1-13(15,9-5-11)7-3-4-8-14(2,16)10-6-12/h3-10H2,1-2H3

InChIKey

HDWUFYXLEHTFHM-UHFFFAOYSA-N

Smiles

C([N@@](CCCl)(C)=O)CCC[N@@](CCCl)(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 350mg/kg (350mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 6, Pg. 169, 1958.