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Substance Name: Brl 20330
RN: 105369-94-6
InChIKey: DUAKSXABRNOXNK-NIFPISSNSA-M

Note

  • Oral prodrug of temocillin.

Molecular Formula

  • C23-H24-N2-O7-S2.Na

Molecular Weight

  • 526.5637
 
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Names and Synonyms

Name of Substance

  • Brl 20330

Synonyms

  • (2S-(2alpha,5alpha,6alpha,6(S*)))-6-Methoxy-3,3-dimethyl-6-((3-(2-methylphenoxy)-1,3-dioxo-2-(3-thienyl)propyl)amino)-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid monosodium salt
  • 6-Methoxy-6-(2-(2-methylphenoxycarbonyl)-2-thien-3'-ylacetamido)penicillanate
  • Brl-20330
  • Temocillin 2-methylphenyl ester

Systematic Name

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-methoxy-3,3-dimethyl-6-((3-(2-methylphenoxy)-1,3-dioxo-2-(3-thienyl)propyl)amino)-7-oxo-, monosodium salt, (2S-(2alpha,5alpha,6alpha,6(S*)))-

Registry Numbers

CAS Registry Number

  • 105369-94-6

System Generated Number

  • 0105369946

Molecular Formulas

Molecular Formula

  • C23-H24-N2-O7-S2.Na

Molecular Formula Fragments

  • C23-H24-N2-O7-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C23H24N2O7S2.Na/c1-12-7-5-6-8-14(12)32-19(29)15(13-9-10-33-11-13)17(26)24-23(31-4)20(30)25-16(18(27)28)22(2,3)34-21(23)25;/h5-11,15-16,21H,1-4H3,(H,24,26)(H,27,28);/q;+1/p-1/t15-,16+,21-,23+;/m1./s1

InChIKey

DUAKSXABRNOXNK-NIFPISSNSA-M

Smiles

[Na+].CO[C@]1(NC(=O)[C@H](C(=O)Oc2ccccc2C)c3ccsc3)[C@H]4SC(C)(C)[C@@H](N4C1=O)C(=O)[O-]