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34042-85-8 | 4-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-1$l^{6},2-benzothiazine-3-carboxamide
CAS No: 34042-85-8 Catalog No: AG00C955 MDL No:
Product Description
Catalog Number:
AG00C955
Chemical Name:
4-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-1$l^{6},2-benzothiazine-3-carboxamide
CAS Number:
34042-85-8
IUPAC Name:
4-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-1λ6,2-benzothiazine-3-carboxamide
InChI:
InChI=1S/C13H11N3O4S2/c1-16-10(12(18)15-13-14-6-7-21-13)11(17)8-4-2-3-5-9(8)22(16,19)20/h2-7,17H,1H3,(H,14,15,18)
InChI Key:
SYCHUQUJURZQMO-UHFFFAOYSA-N
EC Number:
251-808-7
UNII:
X033PDI962
NSC Number:
615046
Properties
Complexity:
599
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.019g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
337.368g/mol
Monoisotopic Mass:
337.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| A predictive ligand-based Bayesian model for human drug-induced liver injury. | Drug metabolism and disposition: the biological fate of chemicals 20101201 |
| Can in vitro metabolism-dependent covalent binding data in liver microsomes distinguish hepatotoxic from nonhepatotoxic drugs? An analysis of 18 drugs with consideration of intrinsic clearance and daily dose. | Chemical research in toxicology 20080901 |
| In vitro metabolism and covalent binding of enol-carboxamide derivatives and anti-inflammatory agents sudoxicam and meloxicam: insights into the hepatotoxicity of sudoxicam. | Chemical research in toxicology 20080901 |
| Extrapolation of human pharmacokinetic parameters from rat, dog, and monkey data: Molecular properties associated with extrapolative success or failure. | Journal of pharmaceutical sciences 20050701 |
| Effect of structural modification of enol-carboxamide-type nonsteroidal antiinflammatory drugs on COX-2/COX-1 selectivity. | Journal of medicinal chemistry 19970314 |
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