Hydrochlorothiazide

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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 Number	58-93-5
PubChem CID	3639
IUPAC Name	6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Molecular Formula	C7H8ClN3O4S2
Molecular Weight	297.7
XLogP	-0.1
Topological Polar Surface Area	135
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Heavy Atom Count	17
Formal Charge	0
Complexity	494

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

CAS: 58-93-5

CID: 3639

Formula: C7H8ClN3O4S2

MW: 297.7

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	297.7
XLogP3	-0.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	296.9644758
Monoisotopic Mass	296.9644758
Topological Polar Surface Area	135 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	494
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
sc-207738D	Hydrochlorothiazide

Hydrochlorothiazide

Chemical Information

Alternative Products

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