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Substance Name: Ampiclox
RN: 62713-27-3
InChIKey: DTDVLGOPXRTVSW-WNMMQFCISA-M

Molecular Formula

  • C16-H19-N3-O4-S.C19-H18-Cl-N3-O5-S.Na

Molecular Weight

  • 807.2774
 
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Names and Synonyms

Results Name

  • Ampiclox

Synonyms

  • Ampiclox
  • Cloxap

Systematic Name

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-, monosodium salt, (2S-(2alpha,5alpha,6beta(S*)))-, mixt. with (2S-(2alpha,5alpha,6beta))-6-(((3-(2-chlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid

Registry Numbers

CAS Registry Number

  • 62713-27-3

System Generated Number

  • 0062713273

Molecular Formulas

Molecular Formula

  • C16-H19-N3-O4-S.C19-H18-Cl-N3-O5-S.Na

Molecular Formula Fragments

  • C16-H19-N3-O4-S
  • C19-H18-Cl-N3-O5-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C19H18ClN3O5S.C16H19N3O4S.Na/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;1-16(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;/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);/q;;+1/p-1/t13-,14+,17-;9?,10-,11+,14-;/m11./s1

InChIKey

DTDVLGOPXRTVSW-WNMMQFCISA-M

Smiles

Cc1c(c(no1)c2ccccc2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c3ccccc3)N)C(=O)[O-])C.[Na+]