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Chlorthalidone impurity

CAT: 0013-GTR19218114-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19218114-02Size:50 mg
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Description
This Chlorthalidone impurity, a metabolite of the antihypertensive drug, serves as a critical reference standard for analytical research. It is utilized in in vitro and in vivo metabolic and pharmacokinetic studies to understand Chlorthalidone's biotransformation and support drug safety assessments.
CAS Number
5270-74-6
Field of Research
Metabolism Research
Smiles
NS (=O) (=O) c1cc (ccc1Cl) C (=O) c1ccccc1C (O) =O
Molecular Formula
C14H10ClNO5S
Molecular Weight
339.75
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4'-Chloro-3'-sulfamoyl-2-benzophenone carboxylic acid
CAS Number5270-74-6
PubChem CID78924
IUPAC Name2-(4-chloro-3-sulfamoylbenzoyl)benzoic acid
Molecular FormulaC14H10ClNO5S
Molecular Weight339.8
XLogP2
Topological Polar Surface Area123
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity544
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)C(=O)O
InChI
InChI=1S/C14H10ClNO5S/c15-11-6-5-8(7-12(11)22(16,20)21)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)(H2,16,20,21)
InChIKey
UKRADWWBRBBJLZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Chloro-3'-sulfamoyl-2-benzophenone carboxylic acid
CAS: 5270-74-6
CID: 78924
Formula: C14H10ClNO5S
MW: 339.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight339.8
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass338.9968213
Monoisotopic Mass338.9968213
Topological Polar Surface Area123 Ų
Heavy Atom Count22
Formal Charge0
Complexity544
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