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Substance Name: Sodium (6R-trans)-3-(acetoxymethyl)-7-(((3-(2-chlorophenyl)-5-methylisoxazol-4-yl)carbonyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
RN: 23179-69-3
InChIKey: IYZQROLGTPZBMS-VASSOYJASA-M

Molecular Formula

  • C21-H18-Cl-N3-O7-S.Na

Molecular Weight

  • 513.8883
 
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Names and Synonyms

Synonym

  • EINECS 245-475-7

Systematic Name

  • Sodium (6R-trans)-3-(acetoxymethyl)-7-(((3-(2-chlorophenyl)-5-methylisoxazol-4-yl)carbonyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate

Registry Numbers

CAS Registry Number

  • 23179-69-3

System Generated Number

  • 0023179693

Molecular Formulas

Molecular Formula

  • C21-H18-Cl-N3-O7-S.Na

Molecular Formula Fragments

  • C21-H18-Cl-N3-O7-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H18ClN3O7S.Na/c1-9-14(15(24-32-9)12-5-3-4-6-13(12)22)18(27)23-16-19(28)25-17(21(29)30)11(7-31-10(2)26)8-33-20(16)25;/h3-6,16,20H,7-8H2,1-2H3,(H,23,27)(H,29,30);/q;+1/p-1/t16-,20+;/m0./s1

InChIKey

IYZQROLGTPZBMS-VASSOYJASA-M

Smiles

Cc1c(c(no1)c2ccccc2Cl)C(=O)N[C@@H]3[C@@H]4N(C3=O)C(=C(CS4)COC(=O)C)C(=O)[O-].[Na+]