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Substance Name: Imidazole, 4-methyl-5-propyl-, 1,2-ethanedisulfonate (2:1)
RN: 29584-98-3
InChIKey: OTFVXGLECDJVTR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H12-N2.1/2C2-H6-O6-S2

Molecular Weight

  • 438.567
 
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Names and Synonyms

Synonym

  • 4-Methyl-5-propylimidazole 1,2-ethanedisulfonate

Systematic Name

  • Imidazole, 4-methyl-5-propyl-, 1,2-ethanedisulfonate (2:1)

Registry Numbers

CAS Registry Number

  • 29584-98-3

System Generated Number

  • 0029584983

Molecular Formulas

Molecular Formula

  • C7-H12-N2.1/2C2-H6-O6-S2

Molecular Formula Fragments

  • C2-H6-O6-S2
  • C7-H12-N2
  • COMPONENT

Structure Descriptors

InChI

1S/2C7H12N2.C2H6O6S2/c2*1-3-4-7-6(2)8-5-9-7;3-9(4,5)1-2-10(6,7)8/h2*5H,3-4H2,1-2H3,(H,8,9);1-2H2,(H,3,4,5)(H,6,7,8)

InChIKey

OTFVXGLECDJVTR-UHFFFAOYSA-N

Smiles

C(CS(=O)(=O)O)S(=O)(=O)O.c1nc(c([nH]1)CCC)C.c1nc(c([nH]1)CCC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   Acta Pharmaceutica Suecica. Vol. 7, Pg. 423, 1970.