Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Aniline, 4,4'-pentamethylenedioxybis(3-chloro-, dihydrochloride
RN: 94995-90-1
InChIKey: BDXKJZYNDBAOBR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H20-Cl2-N2-O2.2Cl-H

Molecular Weight

  • 428.185
 
* 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

Synonyms

  • 4,4'-Pentamethylenedioxybis(3-chloroaniline) dihydrochloride
  • M & B 2536

Systematic Name

  • Aniline, 4,4'-pentamethylenedioxybis(3-chloro-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 94995-90-1

System Generated Number

  • 0094995901

Molecular Formulas

Molecular Formula

  • C17-H20-Cl2-N2-O2.2Cl-H

Molecular Formula Fragments

  • C17-H20-Cl2-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H20Cl2N2O2.2ClH/c18-14-10-12(20)4-6-16(14)22-8-2-1-3-9-23-17-7-5-13(21)11-15(17)19;;/h4-7,10-11H,1-3,8-9,20-21H2;2*1H

InChIKey

BDXKJZYNDBAOBR-UHFFFAOYSA-N

Smiles

c1(c(cc([NH2+])cc1)Cl)OCCCCCOc1c(cc([NH2+])cc1)Cl.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3gm/kg (3000mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 13, Pg. 238, 1958.