Phenethicillin

CAS Registry Number®

147-55-7
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CAS Name

Phenethicillin

Molecular Formula

C17H20N2O5S

Molecular Mass

364.42

Cite this Page

Phenethicillin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=147-55-7 (retrieved 2024-04-23) (CAS RN: 147-55-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H20N2O5S/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23)/t9?,11-,12+,15-/m1/s1

InChIKey

InChIKey=NONJJLVGHLVQQM-JHXYUMNGSA-N

SMILES

C(O)(=O)[C@@H]1N2[C@@]([C@H](NC(C(OC3=CC=CC=C3)C)=O)C2=O)(SC1(C)C)[H]

Canonical SMILES

O=C(O)C1N2C(=O)C(NC(=O)C(OC=3C=CC=CC3)C)C2SC1(C)C

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenoxypropyl)amino]-, (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenoxypropionamido)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenoxypropyl)amino]-, [2S-(2α,5α,6β)]-
  • (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(1-oxo-2-phenoxypropyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • 1-Phenoxyethylpenicillin

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Deleted or Replaced CAS Registry Numbers

94931-39-2, 856653-74-2

CAS INSIGHTSTM
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