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4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonic acid Parecoxib sodium Impurity

  • CAS No. 181696-35-5

  • Cat. No. CS-0229216
  • Purity≥98%
  • MDL No.MFCD26743607

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

4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonic acid Parecoxib sodium Impurity|CS-0229216

Structure of 181696-35-5

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General Information

  • CAS No. 181696-35-5
  • Cat. No. CS-0229216
  • Purity ≥98%
  • MDL No. MFCD26743607
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₃NO₄S
  • Molecular Weight 315.34
  • Synonym(s) Valdecoxib Sulfonic Acid
  • SMILES O=S(C1=CC=C(C2=C(C)ON=C2C3=CC=CC=C3)C=C1)(O)=O

Synthesis

  • Route1

    References

    • Reddy, Anumula Raghupathi; Goverdhan, Gilla; Sampath, Aalla; Mukkanti, Khagga; Reddy, Padi Pratap; Bandichhor, Rakeshwar Synthetic Communications, 2012 , vol. 42, # 5 p. 639 - 649
  • Route2

    References

    • Reddy, Anumula Raghupathi; Goverdhan, Gilla; Sampath, Aalla; Mukkanti, Khagga; Reddy, Padi Pratap; Bandichhor, Rakeshwar Synthetic Communications, 2012 , vol. 42, # 5 p. 639 - 649
  • Route3
    • null|null
      52201-28-2
    • ~%
    • 4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonic acid Parecoxib sodium Impurity|CS-0229216
      181696-35-5

    References

    • Reddy, Anumula Raghupathi; Goverdhan, Gilla; Sampath, Aalla; Mukkanti, Khagga; Reddy, Padi Pratap; Bandichhor, Rakeshwar Synthetic Communications, 2012 , vol. 42, # 5 p. 639 - 649

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   80.4
  • LogP   3.56372
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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