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Substance Name: Biguanide, 1,1'-hexamethylenebis(5-(alpha,alpha,alpha-trifluoro-m-tolyl)-, dihydrochloride
RN: 42242-51-3
InChIKey: OOLMMXSJYMOXIB-UHFFFAOYSA-N

Molecular Formula

  • C24-H30-F6-N10.2Cl-H

Molecular Weight

  • 645.481
 
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Names and Synonyms

Synonym

  • 1,6-Di(N(sub 1),N(sub 1')-m-trifluoromethylphenyl)-N(sub 5),N(sub 5')-hexane dihydrochloride

Systematic Name

  • Biguanide, 1,1'-hexamethylenebis(5-(alpha,alpha,alpha-trifluoro-m-tolyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 42242-51-3

System Generated Number

  • 0042242513

Molecular Formulas

Molecular Formula

  • C24-H30-F6-N10.2Cl-H

Molecular Formula Fragments

  • C24-H30-F6-N10
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H30F6N10.2ClH/c25-23(26,27)15-7-5-9-17(13-15)37-21(33)39-19(31)35-11-3-1-2-4-12-36-20(32)40-22(34)38-18-10-6-8-16(14-18)24(28,29)30;;/h5-10,13-14H,1-4,11-12H2,(H5,31,33,35,37,39)(H5,32,34,36,38,40);2*1H

InChIKey

OOLMMXSJYMOXIB-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)C(F)(F)F)NC(NC([NH+]CCCCCC[NH+]C(NC(Nc1cc(ccc1)C(F)(F)F)=N)=N)=N)=N.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 14mg/kg (14mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12522,