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Substance Name: Glycine, N-(N-L-gamma-glutamyl-3-(((4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)pyridinium-2-yl)methyl)dithio)-L-alanyl)-, chloride
RN: 124486-08-4
InChIKey: JHTVZNDGZZPQGC-NKGQWRHHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H30-F3-N6-O7-S2.Cl

Molecular Weight

  • 695.137
 
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Names and Synonyms

  • Glycine, N-(N-L-gamma-glutamyl-3-(((4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)pyridinium-2-yl)methyl)dithio)-L-alanyl)-, chloride

Registry Numbers

CAS Registry Number

  • 124486-08-4

System Generated Number

  • 0124486084

Molecular Formulas

Molecular Formula

  • C26-H30-F3-N6-O7-S2.Cl

Molecular Formula Fragments

  • C26-H30-F3-N6-O7-S2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C26H29F3N6O7S2.ClH/c1-13-19(12-44-43-11-18(23(39)31-10-22(37)38)32-21(36)6-4-15(30)24(40)41)35(8-7-20(13)42-2)25-33-16-5-3-14(26(27,28)29)9-17(16)34-25;/h3,5,7-9,15,18H,4,6,10-12,30H2,1-2H3,(H4-,31,32,33,34,36,37,38,39,40,41);1H/t15-,18-;/m0./s1

InChIKey

JHTVZNDGZZPQGC-NKGQWRHHSA-N

Smiles

Cc1c(cc[n+](c1CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)c2[nH]c3ccc(cc3n2)C(F)(F)F)OC.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1250mg/kg (1250mg/kg)   United States Patent Document. Vol. #4766133,