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Trichlormethiazide

CAT: 0931-T0114-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T0114-01Size:1 g
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CAS Number
133-67-5
Target
Others, ATPase, Carbonic Anhydrase
Related Pathways
Others, Membrane transporter/Ion channel, Metabolism
Purity
0.9954
Bioactivity
Trichlormethiazide (Naqua) is a short-acting, 3-dichloromethyl derivative of hydrochlorothiazide, belonging to the class of thiazide diuretics. Trichlormethiazide appears to block the active reabsorption of chloride and possibly sodium in the ascending loop of Henle, altering electrolyte transfer in the proximal tubule.
Smiles
NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C(Cl)Cl)cc1Cl
Molecular Formula
C8H8Cl3N3O4S2
Molecular Weight
380.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
Loading 3D structure...
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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