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Trichlormethiazide

CAT: 1596-AR-T03572-02Size: 150Dry Ice: NoHazardous: No
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CAS Number
133-67-5
Synonyms
((±) -6-Chloro-3- (dichloromethyl) -3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide)
Molecular Formula
C8H8Cl3N3O4S2
Molecular Weight
380.66
API Name
Trichlormethiazide

Chemical Information

Trichlormethiazide

Trichlormethiazide is a benzothiadiazine, hydrogenated at positions 2, 3 and 4 and substituted with an aminosulfonyl group at C-7, a chloro substituent at C-6 and a dichloromethyl group at C-3 and with S-1 as an S,S-dioxide. A sulfonamide antibiotic, it is used as a diuretic to treat oedema (including that associated with heart failure) and hypertension. It has a role as a diuretic and an antihypertensive agent. It is a benzothiadiazine and a sulfonamide antibiotic.

CAS Number133-67-5
PubChem CID5560
IUPAC Name6-chloro-3-(dichloromethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Molecular FormulaC8H8Cl3N3O4S2
Molecular Weight380.7
XLogP0.6
Topological Polar Surface Area135
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity571
SMILES
C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)C(Cl)Cl
InChI
InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)
InChIKey
LMJSLTNSBFUCMU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trichlormethiazide
CAS: 133-67-5
CID: 5560
Formula: C8H8Cl3N3O4S2
MW: 380.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.7
XLogP30.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass378.902181
Monoisotopic Mass378.902181
Topological Polar Surface Area135 Ų
Heavy Atom Count20
Formal Charge0
Complexity571
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B2056-5.1Trichlormethiazide
468053-01Trichlormethiazide-13C6
HY-B0235R-01Trichlormethiazide (Standard)
MBS5804675Trichlormethiazide sodium

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