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Substance Name: SQ 13426
RN: 67780-08-9
InChIKey: BXHMPLAVIHMEQG-KPIBHXCLSA-M

Molecular Formula

  • C18-H20-N8-O6-S3.Na

Molecular Weight

  • 562.5861
 
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Names and Synonyms

Name of Substance

  • SQ 13426

Synonym

  • SQ 13,426

Systematic Name

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((((aminocarbonyl)amino)-2-thienylacetyl)amino)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, monosodium salt, (6R-(6alpha,7alpha))-

Registry Numbers

CAS Registry Number

  • 67780-08-9

System Generated Number

  • 0067780089

Molecular Formulas

Molecular Formula

  • C18-H20-N8-O6-S3.Na

Molecular Formula Fragments

  • C18-H20-N8-O6-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C18H20N8O6S3.Na/c1-25-17(22-23-24-25)35-7-8-6-34-15-18(32-2,14(30)26(15)11(8)13(28)29)21-12(27)10(20-16(19)31)9-4-3-5-33-9;/h3-5,10,15H,6-7H2,1-2H3,(H,21,27)(H,28,29)(H3,19,20,31);/q;+1/p-1/t10?,15-,18+;/m1./s1

InChIKey

BXHMPLAVIHMEQG-KPIBHXCLSA-M

Smiles

Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)C(c4cccs4)NC(=O)N)OC)SC2)C(=O)[O-].[Na+]