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Chemistry

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Also known as: Schembl6942519

Molecular Formula

C₁₅H₁₄ClN₃O₄S

Molecular Weight

367.8 g/mol

InChI Key

NLQGSBONWRYODL-UHFFFAOYSA-N

1 2D Structure

Piroxicam Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-16,2-benzothiazine-3-carboxamide;hydrochloride

2.1.2 InChI

InChI=1S/C15H13N3O4S.ClH/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22;/h2-9,19H,1H3,(H,16,17,20);1H

2.1.3 InChI Key

NLQGSBONWRYODL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=N3.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Schembl6942519

2.3 Create Date

2011-12-26

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₄ClN₃O₄S
Molecular Weight	367.8 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	367.0393548 g/mol
Monoisotopic Mass	367.0393548 g/mol
Topological Polar Surface Area	108 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	611
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2