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Substance Name: Sydnone imine, 3-(1-methyl-2-phenylethyl)-N-(((4-sulfophenyl)amino)carbonyl)-, dihydrate
RN: 117015-70-0
InChIKey: XIOVSTUSSGPQPX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-N4-O5-S.2H2-O

Molecular Weight

  • 402.4292
 
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Names and Synonyms

Synonyms

  • 3-(1-Methyl-2-phenylethyl)-N-(((4-sulfophenyl)amino)carbonyl)sydnone imine dihydrate
  • 3-(alpha-Methylphenethyl)-N-((p-sulfophenyl)carbamoyl)sidnone imine dihydrate
  • N(sup 6)-(4-Sulfophenyl)carbamoyl-3-phenylisopropylsydnone imine

Systematic Name

  • Sydnone imine, 3-(1-methyl-2-phenylethyl)-N-(((4-sulfophenyl)amino)carbonyl)-, dihydrate

Registry Numbers

CAS Registry Number

  • 117015-70-0

System Generated Number

  • 0117015700

Molecular Formulas

Molecular Formula

  • C18-H18-N4-O5-S.2H2-O

Molecular Formula Fragments

  • C18-H18-N4-O5-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H18N4O5S/c1-13(11-14-5-3-2-4-6-14)22-12-17(27-21-22)20-18(23)19-15-7-9-16(10-8-15)28(24,25)26/h2-10,12-13H,11H2,1H3,(H2-,19,20,21,23,24,25,26)

InChIKey

XIOVSTUSSGPQPX-UHFFFAOYSA-N

Smiles

CC(Cc1ccccc1)[n+]2cc(on2)NC(=O)Nc3ccc(cc3)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 21, Pg. 1305, 1987.