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113913-36-3 | 2H-1,2-Benzothiazine-3-carboxylic acid, 3,4-dihydro-4-hydroxy-2-methyl-, ethyl ester, 1,1-dioxide
CAS No: 113913-36-3 Catalog No: AG000A1H MDL No:
Product Description
Catalog Number:
AG000A1H
Chemical Name:
2H-1,2-Benzothiazine-3-carboxylic acid, 3,4-dihydro-4-hydroxy-2-methyl-, ethyl ester, 1,1-dioxide
CAS Number:
113913-36-3
Molecular Formula:
C12H15NO5S
Molecular Weight:
285.3162
IUPAC Name:
ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate
InChI:
InChI=1S/C12H13NO5S/c1-3-18-12(15)10-11(14)8-6-4-5-7-9(8)19(16,17)13(10)2/h4-7,14H,3H2,1-2H3
InChI Key:
QWTNANUGXZEPFQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1C(O)c2ccccc2S(=O)(=O)N1C
EC Number:
246-403-7
UNII:
EAD64Z1YS1
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.298g/mol
Monoisotopic Mass:
283.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Discovery of cyclicsulfonamide derivatives as 11 beta-hydroxysteroid dehydrogenase 1 inhibitors. | Bioorganic & medicinal chemistry letters 20100201 |
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