1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide, 95%

Name: 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

135-09-1

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IUPAC name	1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
inchi	InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)
inchi key	DMDGGSIALPNSEE-UHFFFAOYSA-N
molecular formula	C8H8F3N3O4S2
synonyms	hydroflumethiazide 135-09-1 Diuredemina Glomerulin Robezon
Compound Description	Hydroflumethiazide is a benzothiadiazine consisting of a 3,4-dihydro-HH-1,2,4-benzothiadiazine bicyclic system dioxygenated on sulfur and carrying trifluoromethyl and aminosulfonyl groups at positions 6 and 7 respectively. A diuretic with actions and uses similar to those of hydrochlorothiazide. It has a role as a diuretic and an antihypertensive agent. It is a benzothiadiazine and a thiazide. A thiazide diuretic with actions and uses similar to those of hydrochlorothiazide. Hydroflumethiazide is a Thiazide Diuretic. The physiologic effect of hydroflumethiazide is by means of Increased Diuresis. Hydroflumethiazide is an intermediate-acting benzothiadiazine sulfonamide derivative belonging to the class of the thiazide diuretics. HYDROFLUMETHIAZIDE is a small molecule drug with a maximum clinical trial phase of IV that was first approved in 1959 and is indicated for cardiovascular disease. A thiazide diuretic with actions and uses similar to those of HYDROCHLOROTHIAZIDE. See also: Hydroflumethiazide; reserpine .

Computed Properties

Molecular Weight:	331.3 g/mol
XLogP3:	0.4
Hydrogen Bond Donor Count:	3
Hydrogen Bond Acceptor Count:	10
Rotatable Bond Count:	1
Exact Mass:	330.99083258 g/mol
Monoisotopic Mass:	330.99083258 g/mol
Topological Polar Surface Area:	135 Å²
Heavy Atom Count:	20
Formal Charge:	0
Complexity:	578
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

hazard signal	Danger
hazard classes and categories	Skin Sens. 1 (97.5%) Resp. Sens. 1 (97.5%)
precautionary statement codes	P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501
hazard statements	H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin] H334 (97.5%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

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About this item

IUPAC name	1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
inchi	InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)
inchi key	DMDGGSIALPNSEE-UHFFFAOYSA-N
molecular formula	C8H8F3N3O4S2
synonyms	hydroflumethiazide 135-09-1 Diuredemina Glomerulin Robezon
Compound Description	Hydroflumethiazide is a benzothiadiazine consisting of a 3,4-dihydro-HH-1,2,4-benzothiadiazine bicyclic system dioxygenated on sulfur and carrying trifluoromethyl and aminosulfonyl groups at positions 6 and 7 respectively. A diuretic with actions and uses similar to those of hydrochlorothiazide. It has a role as a diuretic and an antihypertensive agent. It is a benzothiadiazine and a thiazide. A thiazide diuretic with actions and uses similar to those of hydrochlorothiazide. Hydroflumethiazide is a Thiazide Diuretic. The physiologic effect of hydroflumethiazide is by means of Increased Diuresis. Hydroflumethiazide is an intermediate-acting benzothiadiazine sulfonamide derivative belonging to the class of the thiazide diuretics. HYDROFLUMETHIAZIDE is a small molecule drug with a maximum clinical trial phase of IV that was first approved in 1959 and is indicated for cardiovascular disease. A thiazide diuretic with actions and uses similar to those of HYDROCHLOROTHIAZIDE. See also: Hydroflumethiazide; reserpine .

Computed Properties

Molecular Weight:	331.3 g/mol
XLogP3:	0.4
Hydrogen Bond Donor Count:	3
Hydrogen Bond Acceptor Count:	10
Rotatable Bond Count:	1
Exact Mass:	330.99083258 g/mol
Monoisotopic Mass:	330.99083258 g/mol
Topological Polar Surface Area:	135 Å²
Heavy Atom Count:	20
Formal Charge:	0
Complexity:	578
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

hazard signal	Danger
hazard classes and categories	Skin Sens. 1 (97.5%) Resp. Sens. 1 (97.5%)
precautionary statement codes	P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501
hazard statements	H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin] H334 (97.5%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

Product No: BG9088

1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide, 95%

Product No: BG9088

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CHEMICAL AND PHYSICAL PROPERTIES

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Certificate of Analysis

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Product No: BG9088

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?