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Clorexolone

CAT: 0013-GTR19223683-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223683-02Size:500 mg
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Description
Clorexolone is a sulfonamide-derived diuretic with a low ceiling effect. It serves as a research tool for studying renal physiology, electrolyte transport, and diuretic mechanisms in both in vitro and in vivo experimental models.
CAS Number
2127-01-7
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C1C2=CC (=C (Cl) C=C2CN1C3CCCCC3) S (=O) (=O) N
Molecular Formula
C14H17ClN2O3S
Molecular Weight
328.81
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Clorexolone

Clorexolone is an organic molecular entity.

CAS Number2127-01-7
PubChem CID16473
IUPAC Name6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonamide
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.8
XLogP2
Topological Polar Surface Area88.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity513
SMILES
C1CCC(CC1)N2CC3=CC(=C(C=C3C2=O)S(=O)(=O)N)Cl
InChI
InChI=1S/C14H17ClN2O3S/c15-12-6-9-8-17(10-4-2-1-3-5-10)14(18)11(9)7-13(12)21(16,19)20/h6-7,10H,1-5,8H2,(H2,16,19,20)
InChIKey
VPMWFZKOWULPGT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Clorexolone
CAS: 2127-01-7
CID: 16473
Formula: C14H17ClN2O3S
MW: 328.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.8
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass328.0648413
Monoisotopic Mass328.0648413
Topological Polar Surface Area88.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity513
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

Alternative Products

CatalogName
MBS5780605Clorexolone

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