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Lornoxicam Impurity 33

CAT: 1596-AR-L07772-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L07772-01Size:10 Units
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CAS Number
868393-66-2
Molecular Formula
C8H7NO5S2
Molecular Weight
261.27
API Name
Lornoxicam

Chemical Information

2H-Thieno[2,3-e]-1,2-thiazine-3-carboxylicacid, 4-hydroxy-2-methyl-, 1,1-dioxide
CAS Number868393-66-2
PubChem CID57346001
IUPAC Name4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylic acid
Molecular FormulaC8H7NO5S2
Molecular Weight261.3
XLogP0.6
Topological Polar Surface Area132
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity463
SMILES
CN1C(=C(C2=C(S1(=O)=O)C=CS2)O)C(=O)O
InChI
InChI=1S/C8H7NO5S2/c1-9-5(8(11)12)6(10)7-4(2-3-15-7)16(9,13)14/h2-3,10H,1H3,(H,11,12)
InChIKey
FYHROHFTOKQHJH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2H-Thieno[2,3-e]-1,2-thiazine-3-carboxylicacid, 4-hydroxy-2-methyl-, 1,1-dioxide
CAS: 868393-66-2
CID: 57346001
Formula: C8H7NO5S2
MW: 261.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight261.3
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass260.97656467
Monoisotopic Mass260.97656467
Topological Polar Surface Area132 Ų
Heavy Atom Count16
Formal Charge0
Complexity463
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes