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Substance Name: Trifluoromethyl penicillin V
RN: 146554-88-3
InChIKey: KUGOSENXVZZMGE-LQDWTQKMSA-M

Molecular Formula

  • C17-H16-F3-N2-O5.Na

Molecular Weight

  • 440.3724
 
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Names and Synonyms

Name of Substance

  • Trifluoromethyl penicillin V

Synonyms

  • LY-242072
  • Trifluoromethyl penicillin V
  • Trifluoromethylpenicillin V

Systematic Name

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((3-(trifluoromethyl)phenoxy)acetyl)amino)-, monosodium salt, (2S-(2alpha,5alpha,6beta))-

Registry Numbers

CAS Registry Number

  • 146554-88-3

System Generated Number

  • 0146554883

Molecular Formulas

Molecular Formula

  • C17-H16-F3-N2-O5.Na

Molecular Formula Fragments

  • C17-H16-F3-N2-O5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C17H17F3N2O5S.Na/c1-16(2)12(15(25)26)22-13(24)11(14(22)28-16)21-10(23)7-27-9-5-3-4-8(6-9)17(18,19)20;/h3-6,11-12,14H,7H2,1-2H3,(H,21,23)(H,25,26);/q;+1/p-1/t11-,12+,14-;/m1./s1

InChIKey

KUGOSENXVZZMGE-LQDWTQKMSA-M

Smiles

[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)COc3cccc(c3)C(F)(F)F)C(=O)N2[C@H]1C(=O)[O-]