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Product Name: benzthiazide
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91-33-8

91-33-8 structure

Name: Benzthiazide
Chemical Name: benzthiazide
CAS Number: 91-33-8
Molecular Formula: C₁₅H₁₄ClN₃O₄S₃
Molecular Weight: 431.93700
Catalog: API Urinary system medication Diuretic
Create Date: 2018-06-05 08:00:00
Modify Date: 2026-07-04 15:26:48
Benzthiazide is a long-acting diuretic[1] and a hypertension agent. Benzthiazide is an inhibitor of carbonic anhydrase 9 (CA9), with Kis of 8.0, 8.8 and 10 nM for CA9, CA2 and CA1, respectively. Benzthiazide also suppresses proliferation of cancer cells[2].

Name	benzthiazide
Synonyms	3-[(benzylthio)methyl]-6-chloro-1,1-diketo-4H-benzo[e][1,2,4]thiadiazine-7-sulfonamide regulon 3-((benzylthio)methyl)-6-chloro-2h-1,2,4-benzothiadiazine-7-sulfonamide1,1-dio Proaqua EINECS 202-061-0 MFCD00078969 diucene BENZTHIAZIDE 3-[(Benzylsulfanyl)methyl]-6-chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide 6-chloro-7-sulfamoyl-3-benzylthiomethyl-2h-1,2,4-benzothiadiazine1,1-dioxide 3-benzylthiomethyl-6-chloro-2h-1,2,4-benzothiadiazine-7-sulfonamide1,1-dioxi Exsalt BENZTHIAZIDE //BP Hydrochlorothiazide Impurity 31 (Benzthiazide) Benzthiazidum exva 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-[[(phenylmethyl)thio]methyl]-, 1,1-dioxide Freeuril 4or6-chloro-2-phenylphenol Dihydrex 2h-1,2,4-benzothiadiazine-7-sulfonamide,6-chloro-3-(((phenylmethyl)thio)methyl 3-[(benzylthio)methyl]-6-chloro-2h-1,2,4-benzothiadiazine-7-sulfonamide1,1-dio 3-((Benzylthio)methyl)-6-chloro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide 1,1-dioxide 6-chloro-3-[[(phenylmethyl)thio]methyl]-2h-1,2,4-benzothiadiazine-7-sulfonamid 4-benzothiadiazine-7-sulfonamide,3-((benzylthio)methyl)-6-chloro-,1,h-2 6-Chloro-3-[[(phenylMethyl)thio]Methyl]-2H-1,2,4-benzothiadiazine-7-sulfonaMide 1,1-Dioxide Benzothiazide CHEMBANK1114 2h-1,2,4-benzothiadiazine-7-sulfonamide,3-((benzylthio)menthyl)-6-chloro-,1,1 ((benzylthio)methyl)-3chloro-6dioxyde-1,1sulfonamide-7benzothiadiazine-1,2 Fovane HyDrine 3-((Benzylthio)methyl)-6-chloro-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide Aquatag 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-(((phenylmethyl)thio)methyl)-, dioxide Diucen Benzthiazide, 10 mM in DMSO 1,-dioxide 3-benzylthiomethyl-6-chloro-7-sulfamoyl-1,2,4-benzothiadiazine1,1-dioxide pfizer1393 Inhibitor,Cbonate dehydratase,Cbonic Anhydrase,Benzthiazide,inhibit Lemazide benzotiazide Pfizer Exna 3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1λ<sup>6</sup>,2,4-benzothiadiazine-7-sulfonamide fouane p1393 3-[(benzylthio)methyl]-6-chloro-7-sulfamoyl-2h-benzo-1,2,4-thiadiazine1,1-diox 6-chloro-1,1-dioxo-3-(phenylmethylsulfanylmethyl)-4H-benzo[e][1,2,4]thiadiazine-7-sulfonamide 3-Benzylthiomethyl-6-chloro-7-sulfamoyl-1,2,4-benzothiadiazine 1,1-dioxide Edemex Exosalt 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3-((benzylthio)methyl)-6-chloro-, 1,1-dioxide 6-chloro-3-(((phenylmethyl)thio)methyl)-2h-1,2,4-benzothiadiazine-7-sulfonamide Urese Benzotiazida 3-Benzylthiomethyl-6-chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide

Description	Benzthiazide is a long-acting diuretic[1] and a hypertension agent. Benzthiazide is an inhibitor of carbonic anhydrase 9 (CA9), with Kis of 8.0, 8.8 and 10 nM for CA9, CA2 and CA1, respectively. Benzthiazide also suppresses proliferation of cancer cells[2].
Related Catalog	Signaling Pathways >> Metabolic Enzyme/Protease >> Carbonic Anhydrase Research Areas >> Cardiovascular Disease
Target	Ki: 8.0 nM (CA9), 8.8 nM (CA2), 10 nM (CA1)[2]
In Vitro	Benzthiazide (0.4, 2, 10 μM) suppresses proliferation of cancer cell under hypoxic conditions in a dose-dependent manner . Benzthiazide is an inhibitor of carbonic anhydrase 9 (CA9), with Kis of 8.0, 8.8 and 10 nM for CA9, CA2 and CA1, respectively[2].
In Vivo	Benzthiazide (1, 1.5 mg/100 g BW) causes a marked decrease in urinary calcium excretion and the dissociation of calcium and sodium excretion in hyperprolactinemic rats[1].
References	[1]. Adler RA, et al. Hypercalciuria in hyperprolactinemic rats: effects of benzthiazide. Metabolism. 1986 Jul;35(7):668-72. [2]. Lee HS, et al. Rational drug repositioning guided by an integrated pharmacological network of protein, disease and drug. BMC Syst Biol. 2012 Jul 2;6:80.

Density	1.4176 (rough estimate)
Boiling Point	680.6 °C at 760 mmHg
Melting Point	231-232° (U.S. patent); mp 238-239° (P'an)
Molecular Formula	C₁₅H₁₄ClN₃O₄S₃
Molecular Weight	431.93700
Flash Point	365.4 °C
Exact Mass	430.98300
PSA	160.75000
LogP	4.86900
Index of Refraction	1.6100 (estimate)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DK8400000

CHEMICAL NAME :: 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3-((benzylthio)menthyl)-6-chloro-, 1,1-dioxide

CAS REGISTRY NUMBER :: 91-33-8

LAST UPDATED :: 199610

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C15-H14-Cl-N3-O4-S3

MOLECULAR WEIGHT :: 431.95

WISWESSER LINE NOTATION :: T66 BSWM ENJ D1S1R& HG ISZW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >10 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 128,122,1960

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 422 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 128,122,1960

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,778,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 410 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 128,122,1960

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: >5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 128,122,1960

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 128,122,1960 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84680 No. of Facilities: 68 (estimated) No. of Industries: 1 No. of Occupations: 6 No. of Employees: 2770 (estimated)

Symbol	GHS08
Signal Word	Danger
Hazard Statements	H317-H334
Precautionary Statements	P261-P280-P342 + P311
Hazard Codes	Xn
Risk Phrases	42/43
Safety Phrases	26-36
RIDADR	NONH for all modes of transport
WGK Germany	2
RTECS	DK8400000
HS Code	2935009090

HS Code	2935009090
Summary	2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

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