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Substance Name: Biguanide, 1,1-decamethylenebis(5-(p-chlorophenyl)-, diacetate
RN: 101491-38-7
InChIKey: GFKLLGSZSIOIPB-UHFFFAOYSA-N

Molecular Formula

  • C26-H38-Cl2-N10.2C2-H4-O2

Molecular Weight

  • 681.665
 
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Names and Synonyms

Synonym

  • 1,10-Bis(p-chlorophenylbiguanidyl)decane diacetate

Systematic Name

  • Biguanide, 1,1-decamethylenebis(5-(p-chlorophenyl)-, diacetate

Registry Numbers

CAS Registry Number

  • 101491-38-7

System Generated Number

  • 0101491387

Molecular Formulas

Molecular Formula

  • C26-H38-Cl2-N10.2C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C26-H38-Cl2-N10
  • COMPONENT

Structure Descriptors

InChI

1S/C26H38Cl2N10.2C2H4O2/c27-19-9-13-21(14-10-19)35-25(31)37-23(29)33-17-7-5-3-1-2-4-6-8-18-34-24(30)38-26(32)36-22-15-11-20(28)12-16-22;2*1-2(3)4/h9-16H,1-8,17-18H2,(H5,29,31,33,35,37)(H5,30,32,34,36,38);2*1H3,(H,3,4)

InChIKey

GFKLLGSZSIOIPB-UHFFFAOYSA-N

Smiles

c1(NC(NC([NH+]CCCCCCCCCC[NH+]C(NC(Nc2ccc(Cl)cc2)=N)=N)=N)=N)ccc(Cl)cc1.C(C)(=O)[O-].C(C)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 25mg/kg (25mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12428,