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Substance Name: Pyridinium, 2-(((2-amino-3-ethoxy-3-oxopropyl)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: 124485-98-9
InChIKey: WSHSGZIBEPHPNO-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H35-N4-O4-S2.Cl

Molecular Weight

  • 579.1825
 
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Names and Synonyms

  • Pyridinium, 2-(((2-amino-3-ethoxy-3-oxopropyl)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

  • 124485-98-9

System Generated Number

  • 0124485989

Molecular Formulas

Molecular Formula

  • C27-H35-N4-O4-S2.Cl

Molecular Formula Fragments

  • C27-H35-N4-O4-S2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C27H35N4O4S2.ClH/c1-8-35-23(32)18(28)13-36-37-14-21-15(2)22(34-7)9-10-31(21)25-29-19-11-16-17(12-20(19)30-25)27(5,6)24(33)26(16,3)4;/h9-12,18H,8,13-14,28H2,1-7H3,(H,29,30);1H/q+1;/p-1

InChIKey

WSHSGZIBEPHPNO-UHFFFAOYSA-M

Smiles

CCOC(=O)C(CSSCc1c(c(cc[n+]1c2[nH]c3cc4c(cc3n2)C(C(=O)C4(C)C)(C)C)OC)C)N.[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,