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Substance Name: Emd 29645
RN: 67763-91-1
InChIKey: GGPBSYNZYHEHSG-VQZRABBESA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C17-H14-Cl2-N3-O7-S.Na
  • C17-H15-Cl2-N3-O7-S.Na

Molecular Weight

  • 498.2736
 
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Names and Synonyms

Name of Substance

  • EMD 29645

Synonyms

  • EINECS 267-046-3
  • EMD 29645

Systematic Names

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-((3,5-dichloro-4-oxo-1-(4H)-pyridinyl)acetyl)amino)-8-oxo-, monosodium salt, (6R-trans)-
  • Sodium (6R-trans)-3-(acetoxymethyl)-7-((3,5-dichloro-4-oxo-1(4H)-pyridyl)acetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate

Registry Numbers

CAS Registry Number

  • 67763-91-1

System Generated Number

  • 0067763911

Molecular Formulas

Molecular Formulas

  • C17-H14-Cl2-N3-O7-S.Na
  • C17-H15-Cl2-N3-O7-S.Na

Molecular Formula Fragments

  • C17-H14-Cl2-N3-O7-S
  • C17-H15-Cl2-N3-O7-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C17H15Cl2N3O7S.Na/c1-7(23)29-5-8-6-30-16-12(15(26)22(16)13(8)17(27)28)20-11(24)4-21-2-9(18)14(25)10(19)3-21;/h2-3,12,16H,4-6H2,1H3,(H,20,24)(H,27,28);/q;+1/p-1/t12-,16-;/m1./s1

InChIKey

GGPBSYNZYHEHSG-VQZRABBESA-M

Smiles

[Na+].CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CN3C=C(Cl)C(=O)C(=C3)Cl)C2=O)C(=O)[O-]