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Chlorothiazide

CAT: 1596-AR-H07271-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-H07271-01Size:10 Units
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CAS Number
58-94-6
Synonyms
6-Chloro-7-sulfamyl-1,2,4-benzothiadiazine-1,1-dioxide; 6-Chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide; Chlorthiazide; Chlotride; Diuril; Saluric; Urinex; Hydrochlorothiazide EP Impurity A
Molecular Formula
C7H6ClN3O4S2
Molecular Weight
295.72
API Name
Chlorothiazid

Chemical Information

Chlorothiazide

Chlorothiazide is 4H-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position is substituted by chlorine and that at position 7 is substituted by a sulfonamide group. A diuretic, it is used for treatment of oedema and hypertension. It has a role as a diuretic and an antihypertensive agent.

CAS Number58-94-6
PubChem CID2720
IUPAC Name6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Molecular FormulaC7H6ClN3O4S2
Molecular Weight295.7
XLogP-0.2
Topological Polar Surface Area135
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity532
SMILES
C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2
InChI
InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)
InChIKey
JBMKAUGHUNFTOL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chlorothiazide
CAS: 58-94-6
CID: 2720
Formula: C7H6ClN3O4S2
MW: 295.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.7
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass294.9488257
Monoisotopic Mass294.9488257
Topological Polar Surface Area135 Ų
Heavy Atom Count17
Formal Charge0
Complexity532
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

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