6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-(pyridin-2-yl)-2H-1$l^{6},5,2-thieno[2,3-e][1$l^{6},2]thiazine-3-carboxamide

• ChemBase ID: 58671
• Molecular Formular: C13H10ClN3O4S2
• Molecular Mass: 371.8192
• Monoisotopic Mass: 370.9801255
• SMILES: C1(=C(c2c(S(=O)(=O)N1C)cc(s2)Cl)O)C(=O)Nc1ccccn1
• Canonical SMILES: Clc1sc2c(c1)S(=O)(=O)N(C(=C2O)C(=O)Nc1ccccn1)C
• InChI: InChI=1S/C13H10ClN3O4S2/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12/h2-6,18H,1H3,(H,15,16,19)
• InChIKey: WLHQHAUOOXYABV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-(pyridin-2-yl)-2H-1$l^{6},5,2-thieno[2,3-e][1$l^{6},2]thiazine-3-carboxamide
• IUPAC Traditional name: tenoxicam,1-chloro
• Synonyms: 6-Chloro-4-hydroxy-2-methyl-N-pyridin-2-yl-2H-thie no[2,3-e][1,2]thiazine-3-carboxamide 1,1-dioxide; Xefo; Lornoxicam; Lornoxicam; 6-Chloro-4-hydroxy-2-methyl-N-(pyridin-2-yl)-2H-thieno[2,3-e][1,2]thiazine-3-carboxamide 1,1-dioxide

Database IDs

• CAS Number: 70374-39-9
• MDL Number: MFCD00866163
• PubChem SID: 162063434
• PubChem CID: 54690031

CALCULATED PROPERTIES

• Acid pKa: 1.8192503
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.5162346
• LogD (pH = 7.4): -1.1390667
• Log P: 0.63802785
• Molar Refractivity: 87.8981 cm^3
• Polarizability: 33.417343 Å^3
• Polar Surface Area: 99.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: -20°C
• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Salt Data: Free Base

DETAILS

Selleck Chemicals - S2047

Research Area: Cancer
Biological Activity: