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24683-25-8 molecular structure
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4-hydroxy-2-methyl-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide

ChemBase ID: 166678
Molecular Formular: C10H10N2O4S
Molecular Mass: 254.2624
Monoisotopic Mass: 254.03612781
SMILES and InChIs

SMILES:
c1cccc2c1C(=C(N(S2(=O)=O)C)C(=O)N)O
Canonical SMILES:
NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C
InChI:
InChI=1S/C10H10N2O4S/c1-12-8(10(11)14)9(13)6-4-2-3-5-7(6)17(12,15)16/h2-5,13H,1H3,(H2,11,14)
InChIKey:
BBOFTHBIXOWDMA-UHFFFAOYSA-N

Cite this record

CBID:166678 http://www.chembase.cn/molecule-166678.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-hydroxy-2-methyl-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide
IUPAC Traditional name
4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
Synonyms
4-Hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxamide 1,1-Dioxide
Piroxicam Impurity C
Despyridyl Piroxicam (Piroxicam Impurity C)
CAS Number
24683-25-8
PubChem SID
162260811
PubChem CID
54692128

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC D297415 external link Add to cart
PubChem 54692128 external link
Data Source Data ID Price
TRC
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Data Source Data ID
PubChem 54692128 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.952833  H Acceptors
H Donor LogD (pH = 5.5) -1.2832079 
LogD (pH = 7.4) -2.927825  Log P -0.6295667 
Molar Refractivity 62.4318 cm3 Polarizability 23.989527 Å3
Polar Surface Area 100.7 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - D297415 external link
Piroxicam impurity C; and also a metabolite of Meloxicam.

REFERENCES

REFERENCES

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  • • Zinnes, H., et al.: J. Med. Chem., 16, 44 (1973)
  • • Schmid, J., et al.: Xenobiotica, 25, 1219 (1973)
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PATENTS

PATENTS

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INTERNET

INTERNET

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