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59804-37-4 molecular structure
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(3Z)-3-{hydroxy[(pyridin-2-yl)amino]methylidene}-2-methyl-2H,3H,4H-1$l^{6},5,2-thieno[2,3-e][1$l^{6},2]thiazine-1,1,4-trione

ChemBase ID: 352
Molecular Formular: C13H11N3O4S2
Molecular Mass: 337.37414
Monoisotopic Mass: 337.01909785
SMILES and InChIs

SMILES:
S1(=O)(=O)N(/C(=C(\O)/Nc2ncccc2)/C(=O)c2sccc12)C
Canonical SMILES:
O/C(=C\1/C(=O)c2sccc2S(=O)(=O)N1C)/Nc1ccccn1
InChI:
InChI=1S/C13H11N3O4S2/c1-16-10(13(18)15-9-4-2-3-6-14-9)11(17)12-8(5-7-21-12)22(16,19)20/h2-7,18H,1H3,(H,14,15)/b13-10-
InChIKey:
WZWYJBNHTWCXIM-RAXLEYEMSA-N

Cite this record

CBID:352 http://www.chembase.cn/molecule-352.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3Z)-3-{hydroxy[(pyridin-2-yl)amino]methylidene}-2-methyl-2H,3H,4H-1$l^{6},5,2-thieno[2,3-e][1$l^{6},2]thiazine-1,1,4-trione
IUPAC Traditional name
tenoxicam
Brand Name
Apo-Tenoxicam
Novo-Tenoxicam
Tilcotil
Synonyms
Tenoxicamum [INN-Latin]
Tenoxicam
CAS Number
59804-37-4
PubChem SID
46507303
160963815
PubChem CID
5312154
54677971

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 7.2076488  H Acceptors
H Donor LogD (pH = 5.5) 1.1378545 
LogD (pH = 7.4) 0.8103239  Log P 1.221827 
Molar Refractivity 93.0591 cm3 Polarizability 31.345459 Å3
Polar Surface Area 99.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P 1.82  LOG S -3.09 
Solubility (Water) 2.77e-01 g/l 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Solubility
14.1 mg/L expand Show data source
Hydrophobicity(logP)
1.9 expand Show data source

DETAILS

DETAILS

DrugBank DrugBank
DrugBank - DB00469 external link
Item Information
Drug Groups approved
Description Tenoxicam, an antiinflammatory agent with analgesic and antipyretic properties, is used to treat osteoarthritis and control acute pain.
Indication For the treatment of rheumatoid arthritis, osteoarthritis, backache, and pain.
Pharmacology Tenoxicam, an antiinflammatory agent with analgesic and antipyretic properties, is used to treat osteoarthritis and control acute pain.
Affected Organisms
Humans and other mammals
Biotransformation Tenoxicam is metabolized in the liver to several pharmacologically inactive metabolites (mainly 5'-hydroxy-tenoxicam).
Absorption Oral absorption of tenoxicam is rapid and complete (absolute bioavailability 100%).
Half Life 72 hours (range 59 to 74 hours)
Protein Binding 99%

REFERENCES

REFERENCES

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PATENTS

PATENTS

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