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Substance Name: Apalcillin sodium [USAN:INN]
RN: 58795-03-2
UNII: 3XQ12NYC0Q
InChIKey: DIGBQDMXLUJMHN-FSWJYKAZSA-M

Classification Code

  • Antibacterial

Molecular Formulas

  • C25-H22-N5-Na-O6-S
  • C25-H23-N5-O6-S.Na

Molecular Weight

  • 543.5338
 
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Names and Synonyms

Name of Substance

  • Apalcillin sodium salt
  • Apalcillin sodium [USAN:INN]

Synonyms

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((4-hydroxy-1,5-naphthyridin-3-yl)carbonyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-, monosodium salt, (2S-(2alpha,5alpha,6beta(S*)))-
  • Apalcillin sodium
  • EINECS 261-446-1
  • Lumota
  • PC 904
  • Sodium (2S,5R,6R)-6-((R)-2-(4-hydroxy-1,5-naphthyridine-3-carboxamido)-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate
  • UNII-3XQ12NYC0Q

Systematic Name

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((4-hydroxy-1,5-naphthyridin-3-yl)carbonyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-, monosodium salt, (2S-(2alpha,5alpha,6beta(S*)))-

Superlist Name

  • Wy-44,417 sodium

Registry Numbers

CAS Registry Number

  • 58795-03-2

FDA UNII

  • 3XQ12NYC0Q

System Generated Number

  • 0058795032

Molecular Formulas

Molecular Formulas

  • C25-H22-N5-Na-O6-S
  • C25-H23-N5-O6-S.Na

Molecular Formula Fragments

  • C25-H23-N5-O6-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C25H23N5O6S.Na/c1-25(2)19(24(35)36)30-22(34)17(23(30)37-25)29-21(33)15(12-7-4-3-5-8-12)28-20(32)13-11-27-14-9-6-10-26-16(14)18(13)31;/h3-11,15,17,19,23H,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,35,36);/q;+1/p-1/t15-,17-,19+,23-;/m1./s1

InChIKey

DIGBQDMXLUJMHN-FSWJYKAZSA-M

Smiles

[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)c3cnc4cccnc4c3O)c5ccccc5)C(=O)N2[C@H]1C(=O)[O-]