Methyl 6-chloro-4-hydroxy-2H-thieno[2,3-e][1,2]thiazine-3-carboxylate 1,1-Dioxide - CAS 906522-88-1
Catalog: |
BB059877 |
Product Name: |
Methyl 6-chloro-4-hydroxy-2H-thieno[2,3-e][1,2]thiazine-3-carboxylate 1,1-Dioxide |
CAS: |
906522-88-1 |
Synonyms: |
Methyl 6-chloro-4-hydroxy-2H-thieno[2,3-e][1,2]thiazine-3-carboxylate 1,1-Dioxide ; 6-Chloro-4-hydroxy-2H-Thieno[2,3-e]-1,2-thiazine-3-carboxylic Acid Methyl Ester 1,1-Dioxide |
IUPAC Name: | methyl 6-chloro-4-hydroxy-1,1-dioxo-2H-thieno[2,3-e]thiazine-3-carboxylate |
Description: | Methyl 6-Chloro-4-hydroxy-2H-thieno[2,3-e][1,2]thiazine-3-carboxylate 1,1-Dioxide is used in the preparation of Lornoxicam (L470000), a cyclooxygenase inhibitor; structurally similar to Tenoxicam. Anti-inflammatory; analgesic. |
Molecular Weight: | 295.72 |
Molecular Formula: | C8H6ClNO5S2 |
Canonical SMILES: | COC(=O)C1=C(C2=C(C=C(S2)Cl)S(=O)(=O)N1)O |
InChI: | InChI=1S/C8H6ClNO5S2/c1-15-8(12)5-6(11)7-3(2-4(9)16-7)17(13,14)10-5/h2,10-11H,1H3 |
InChI Key: | FWMLCQNJKRWJQC-UHFFFAOYSA-N |
References: | Ankier, S.I., et al. Postgrad. Med. J., 64, 752 (1988); Tricerri, M., et al. Chem. Phys. Lipids, 71, 61 (1994); Santos, N., et al. Biochemistry, 37, 8674 (1998); Pellicano, A., et al. Infect. Immun., 75, 1738 (2007). |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P273, P280, P302+P352, P321, P333+P313, P362+P364, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2006199788-A1 | Anti-inflammatory phosphonate compounds | 20030425 |
US-2009247488-A1 | Anti-inflammatory phosphonate compounds | 20030425 |
US-7432261-B2 | Anti-inflammatory phosphonate compounds | 20030425 |
Complexity: | 483 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 294.9375923 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 294.9375923 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 129Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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