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Substance Name: Biguanide, 1-dodecyl-, hemisulfate, hydrate
RN: 101491-42-3
InChIKey: ITHRIIVJLOSNTI-UHFFFAOYSA-N

Molecular Formula

  • C14-H31-N5.1/2H2-O4-S.H2-O

Molecular Weight

  • 367.512
 
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Names and Synonyms

Synonym

  • n-Dodecylbiguanide semisulfate hydrate

Systematic Name

  • Biguanide, 1-dodecyl-, hemisulfate, hydrate

Registry Numbers

CAS Registry Number

  • 101491-42-3

System Generated Number

  • 0101491423

Molecular Formulas

Molecular Formula

  • C14-H31-N5.1/2H2-O4-S.H2-O

Molecular Formula Fragments

  • C14-H31-N5
  • COMPONENT
  • H2-O
  • H2-O4-S

Structure Descriptors

InChI

1S/C14H31N5.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-18-14(17)19-13(15)16;1-5(2,3)4/h2-12H2,1H3,(H6,15,16,17,18,19);(H2,1,2,3,4)

InChIKey

ITHRIIVJLOSNTI-UHFFFAOYSA-N

Smiles

N(CCCCCCCCCCCC)C(NC(N)=N)=N.S(O)(O)(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 22mg/kg (22mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12430,