Propicillin potassium

CAS Registry Number®

1245-44-9
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CAS Name

Propicillin potassium

Molecular Formula

C18H22N2O5S.K

Cite this Page

Propicillin potassium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=1245-44-9 (retrieved 2024-05-01) (CAS RN: 1245-44-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    195-197 °C (decomp)

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C18H22N2O5S.K/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20;/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24);/t11?,12-,13+,16-;/m1./s1

InChIKey

InChIKey=ZZTJTEOZHZSDIO-CFXUUZMDSA-N

SMILES

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

Canonical SMILES

[K].O=C(O)C1N2C(=O)C(NC(=O)C(OC=3C=CC=CC3)CC)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-phenoxybutyl)amino]-, potassium salt (1:1), (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenoxybutyramido)-, monopotassium salt
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenoxybutyl)amino]-, monopotassium salt, [2S-(2α,5α,6β)]-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenoxybutyramido)-, potassium salt
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenoxybutyl)amino]-, monopotassium salt, (2S,5R,6R)-

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Deleted or Replaced CAS Registry Numbers

5712-72-1, 16421-77-5

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