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Substance Name: Ro 406890
RN: 72889-62-4
InChIKey: HZQKCIONPQFSNZ-LEVZIOCLSA-M

Molecular Formula

  • C14-H14-N8-O5-S2.Na

Molecular Weight

  • 460.4297
 
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Names and Synonyms

Name of Substance

  • Ro 406890

Synonyms

  • (6R,7R)-(Z)-2-(2-Amino-4-thiazolyl-2-(methoxyimino)acetamido)-3-(azidomethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid sodium salt
  • Ro 40-6890

Systematic Name

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(azidomethyl)-8-oxo-, monosodium salt, (6R-((6alpha,7beta(Z))))-

Registry Numbers

CAS Registry Number

  • 72889-62-4

System Generated Number

  • 0072889624

Molecular Formulas

Molecular Formula

  • C14-H14-N8-O5-S2.Na

Molecular Formula Fragments

  • C14-H14-N8-O5-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C14H14N8O5S2.Na/c1-27-20-7(6-4-29-14(15)18-6)10(23)19-8-11(24)22-9(13(25)26)5(2-17-21-16)3-28-12(8)22;/h4,8,12H,2-3H2,1H3,(H2,15,18)(H,19,23)(H,25,26);/q;+1/p-1/b20-7+;/t8-,12-;/m1./s1

InChIKey

HZQKCIONPQFSNZ-LEVZIOCLSA-M

Smiles

[Na+].CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O-])CN=[N+]=[N-])/c3csc(N)n3