24683-21-4 - Angene

Ethyl 4-Hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-Dioxide(Piroxicam Impurity H)

CAS No.:

24683-21-4

Catalog Number:

AG00C2AU

Molecular Formula:

C11H11NO5S

Molecular Weight:

269.2737

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Purity

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Product Description

Catalog Number:

AG00C2AU

Chemical Name:

Ethyl 4-Hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-Dioxide(Piroxicam Impurity H)

CAS Number:

24683-21-4

Molecular Formula:

C11H11NO5S

Molecular Weight:

269.2737

MDL Number:

MFCD16293837

IUPAC Name:

ethyl 4-hydroxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxylate

InChI:

InChI=1S/C11H11NO5S/c1-2-17-11(14)9-10(13)7-5-3-4-6-8(7)18(15,16)12-9/h3-6,12-13H,2H2,1H3

InChI Key:

KHQMRIBGVBXDMI-UHFFFAOYSA-N

SMILES:

CCOC(=O)C1=C(O)c2c(S(=O)(=O)N1)cccc2

UNII:

906HUH22T4

Properties

Complexity:

476

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

269.036g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

269.271g/mol

Monoisotopic Mass:

269.036g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Discovery of cyclicsulfonamide derivatives as 11 beta-hydroxysteroid dehydrogenase 1 inhibitors.	Bioorganic & medicinal chemistry letters 20100201

Properties