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Substance Name: Emd 29946
RN: 67763-92-2
InChIKey: BFCPNQWBMWYLPX-GPKQSYPGSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H14-Cl2-N7-O5-S2.Na

Molecular Weight

  • 554.3696
 
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Names and Synonyms

Name of Substance

  • EMD 29946

Synonym

  • EMD 29946

Systematic Name

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, monosodium salt, (6R-trans)-

Registry Numbers

CAS Registry Number

  • 67763-92-2

System Generated Number

  • 0067763922

Molecular Formulas

Molecular Formula

  • C17-H14-Cl2-N7-O5-S2.Na

Molecular Formula Fragments

  • C17-H14-Cl2-N7-O5-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C17H15Cl2N7O5S2.Na/c1-24-17(21-22-23-24)33-6-7-5-32-15-11(14(29)26(15)12(7)16(30)31)20-10(27)4-25-2-8(18)13(28)9(19)3-25;/h2-3,11,15H,4-6H2,1H3,(H,20,27)(H,30,31);/q;+1/p-1/t11-,15-;/m1./s1

InChIKey

BFCPNQWBMWYLPX-GPKQSYPGSA-M

Smiles

[Na+].Cn1nnnc1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)CN4C=C(Cl)C(=O)C(=C4)Cl)C3=O)C(=O)[O-]