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Hydrochlorothiazide

CAT: 1596-AR-H01171-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-H01171-02Size:25 Units
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CAS Number
58-93-5
Synonyms
6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-Dioxide
Molecular Formula
C7H8ClN3O4S2
Molecular Weight
297.74
API Name
Hydrochlorothiazide

Chemical Information

Hydrochlorothiazide

Hydrochlorothiazide is a benzothiadiazine that is 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide substituted by a chloro group at position 6 and a sulfonamide at 7. It is diuretic used for the treatment of hypertension and congestive heart failure. It has a role as a diuretic, an antihypertensive agent, a xenobiotic and an environmental contaminant. It is a sulfonamide, an organochlorine compound and a benzothiadiazine.

CAS Number58-93-5
PubChem CID3639
IUPAC Name6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Molecular FormulaC7H8ClN3O4S2
Molecular Weight297.7
XLogP-0.1
Topological Polar Surface Area135
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity494
SMILES
C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl
InChI
InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
InChIKey
JZUFKLXOESDKRF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydrochlorothiazide
CAS: 58-93-5
CID: 3639
Formula: C7H8ClN3O4S2
MW: 297.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.7
XLogP3-0.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass296.9644758
Monoisotopic Mass296.9644758
Topological Polar Surface Area135 Ų
Heavy Atom Count17
Formal Charge0
Complexity494
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
sc-207738DHydrochlorothiazide

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