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Substance Name: Pyridinium, 2-(((2-amino-2-carboxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride, (R)-
RN: 124473-36-5
InChIKey: ITBCOMORRCOZPT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H31-N4-O4-S2.Cl

Molecular Weight

  • 551.1289
 
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Names and Synonyms

  • Pyridinium, 2-(((2-amino-2-carboxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride, (R)-

Registry Numbers

CAS Registry Number

  • 124473-36-5

System Generated Number

  • 0124473365

Molecular Formulas

Molecular Formula

  • C25-H31-N4-O4-S2.Cl

Molecular Formula Fragments

  • C25-H31-N4-O4-S2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C25H30N4O4S2.ClH/c1-13-19(12-35-34-11-16(26)21(30)31)29(8-7-20(13)33-6)23-27-17-9-14-15(10-18(17)28-23)25(4,5)22(32)24(14,2)3;/h7-10,16H,11-12,26H2,1-6H3,(H-,27,28,30,31);1H

InChIKey

ITBCOMORRCOZPT-UHFFFAOYSA-N

Smiles

Cc1c(cc[n+](c1CSSCC(C(=O)O)N)c2[nH]c3cc4c(cc3n2)C(C(=O)C4(C)C)(C)C)OC.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 312mg/kg (312mg/kg)   United States Patent Document. Vol. #4766133,