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CS-W001157 4
Total: USD 88.00

(2S,5R,6R)-6-((Z)-Hex-3-enamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Penicillin Impurity

  • CAS No. 118-53-6

  • Cat. No. CS-0497938
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

(2S,5R,6R)-6-((Z)-Hex-3-enamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Penicillin Impurity|CS-0497938

Structure of 118-53-6

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General Information

  • CAS No. 118-53-6
  • Cat. No. CS-0497938
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₀N₂O₄S
  • Molecular Weight 312.38
  • Synonym(s) Penicillin F
  • SMILES O=C(O)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC(C/C=C\CC)=O)([H])C2=O

Synthesis

  • Route1
    • null|null
      4219-24-3
    • (2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, sodium salt|CS-1013988
      1203-85-6
    • ~%
    • (2S,5R,6R)-6-((Z)-Hex-3-enamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Penicillin Impurity|CS-0497938
      118-53-6

    References

    • Hobbs,D.C.; English,A.R. Journal of Medicinal and Pharmaceutical Chemistry, 1961 , vol. 4, p. 207 - 210

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   86.71
  • LogP   0.9744
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   5

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