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Chlortalidone EP Impurity F

CAT: 1299-RM-C081806-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C081806-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1796929-84-4
Synonyms
2-chloro-N- ((2-chloro-5- (1-hydroxy-3-oxoisoindolin-1-yl) phenyl) sulfonyl) -5- (1-hydroxy-3-oxoisoindolin-1-yl) benzenesulfonamide
Molecular Formula
C28H19Cl2N3O8S2
Molecular Weight
660.5
Target Alternative Name
Chlortalidone
Product Name Synonym
2-chloro-N- ((2-chloro-5- (1-hydroxy-3-oxoisoindolin-1-yl) phenyl) sulfonyl) -5- (1-hydroxy-3-oxoisoindolin-1-yl) benzenesulfonamide

Chemical Information

Chlorthalidone DImer
CAS Number1796929-84-4
PubChem CID131667360
IUPAC Name2-chloro-N-[2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)phenyl]sulfonyl-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide
Molecular FormulaC28H19Cl2N3O8S2
Molecular Weight660.5
XLogP2.8
Topological Polar Surface Area196
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count43
Formal Charge0
Complexity1240
SMILES
C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)NS(=O)(=O)C4=C(C=CC(=C4)C5(C6=CC=CC=C6C(=O)N5)O)Cl)O
InChI
InChI=1S/C28H19Cl2N3O8S2/c29-21-11-9-15(27(36)19-7-3-1-5-17(19)25(34)31-27)13-23(21)42(38,39)33-43(40,41)24-14-16(10-12-22(24)30)28(37)20-8-4-2-6-18(20)26(35)32-28/h1-14,33,36-37H,(H,31,34)(H,32,35)
InChIKey
MRMWTXHWGLQHNV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chlorthalidone DImer
CAS: 1796929-84-4
CID: 131667360
Formula: C28H19Cl2N3O8S2
MW: 660.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight660.5
XLogP32.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass658.9990623
Monoisotopic Mass658.9990623
Topological Polar Surface Area196 Ų
Heavy Atom Count43
Formal Charge0
Complexity1240
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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