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Substance Name: Epicillin monosodium
RN: 59446-81-0
UNII: 5F26232JQ8
InChIKey: WQSDWKIPNYFRPW-YWUHCJSESA-M

Molecular Formula

  • C16-H21-N3-O4-S.Na

Molecular Weight

  • 373.407
 
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Names and Synonyms

Name of Substance

  • Epicillin monosodium

Synonyms

  • EINECS 261-765-6
  • UNII-5F26232JQ8

Systematic Name

  • Sodium (2S-(2alpha,5alpha,6beta(S*)))-6-((aminocyclohexa-1,4-dien-1-ylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate

Registry Numbers

CAS Registry Number

  • 59446-81-0

FDA UNII

  • 5F26232JQ8

System Generated Number

  • 0059446810

Molecular Formulas

Molecular Formula

  • C16-H21-N3-O4-S.Na

Molecular Formula Fragments

  • C16-H21-N3-O4-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H21N3O4S.Na/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;/h3-4,7,9-11,14H,5-6,17H2,1-2H3,(H,18,20)(H,22,23);/q;+1/p-1/t9-,10-,11+,14-;/m1./s1

InChIKey

WQSDWKIPNYFRPW-YWUHCJSESA-M

Smiles

[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CCC=CC3)C(=O)N2[C@H]1C(=O)[O-]