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Substance Name: Temocillin disodium salt
RN: 61545-06-0
UNII: 96IIP39ODH
InChIKey: MRGCZDWBFFUEES-CWBCWDDISA-L

Note

  • Beta-lactam antibiotic with unusual spectrum of antibacterial activity & exceptional stability to bacterial beta-lactamases.

Molecular Formula

  • C16-H18-N2-O7-S2.2Na

Molecular Weight

  • 458.4214
 
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Names and Synonyms

Name of Substance

  • Temocillin
  • Temocillin disodium salt

Synonyms

  • EINECS 262-835-9
  • UNII-96IIP39ODH

Systematic Names

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((carboxy-3-thienylacetyl)amino)-6-methoxy-3,3-dimethyl-7-oxo-, disodium salt, (2S,5R,6S)-
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((carboxy-3-thienylacetyl)amino)-6-methoxy-3,3-dimethyl-7-oxo-, disodium salt, (2S-(2alpha,5alpha,6alpha))-
  • Disodium (2S-(2alpha,5alpha,6alpha))-6-(carboxylato-3-thienylacetamido)-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate

Registry Numbers

CAS Registry Number

  • 61545-06-0

FDA UNII

  • 96IIP39ODH

System Generated Number

  • 0061545060

Molecular Formulas

Molecular Formula

  • C16-H18-N2-O7-S2.2Na

Molecular Formula Fragments

  • C16-H18-N2-O7-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H18N2O7S2.2Na/c1-15(2)9(12(22)23)18-13(24)16(25-3,14(18)27-15)17-10(19)8(11(20)21)7-4-5-26-6-7;;/h4-6,8-9,14H,1-3H3,(H,17,19)(H,20,21)(H,22,23);;/q;2*+1/p-2/t8?,9-,14+,16-;;/m0../s1

InChIKey

MRGCZDWBFFUEES-CWBCWDDISA-L

Smiles

C1(=O)N2[C@@H]([C@@]1(NC(=O)[C@@H](C(=O)O)c1ccsc1)OC)SC([C@@H]2C(O)=O)(C)C.[Na].[Na]