Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00122)
Name
Chlorothiazide
Synonyms    Click to Show/Hide the Synonyms of This API
chlorothiazide; 58-94-6; Diuril; Chlorothiazid; Chlorthiazide; Chlotride; Thiazide; Chlortiazid; Chlorosal; Chlorurit; Saluretil; Warduzide; Alurene; Clotride; Diuresal; Diurilix; Diurite; Diutrid; Salisan; Salunil; Saluric; Yadalan; Flumen; Minzil; Urinex; Neo-Dema; Sk-chlorothiazide; Chlorothiazidum; Aldoclor; Clorotiazida; 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-, 1,1-dioxide; 6-Chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide; component of Aldoclor; 6-Chloro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxide; NSC 25693; UNII-77W477J15H; MFCD00058576; Diuril (TN); MLS000028398; CHEBI:3640; Chlorthiazid; Chlorthiazidum; 6-chloro-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide; NSC25693; NSC-25693; 77W477J15H; Chlorothiazide, 98%; CAS-58-94-6; NCGC00015242-04; Clorotiazide; Chloriazid; Chlrosal; SMR000058429; 6-chloro-4H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide; Clorotiazide [DCIT]; Diuril Boluses; DSSTox_CID_2800; DSSTox_RID_76733; DSSTox_GSID_22800; Diuril Boluses, Veterinary; C7H6ClN3O4S2; Clorotiazida [INN-Spanish]; Chlorothiazidum [INN-Latin]; chlorothiazid-; CCRIS 5999; HSDB 3030; SR-01000075604; EINECS 200-404-9; 6-chloro-1,1-dioxo-2H-1,2,4-benzothiadiazine-7-sulfonamide; 6-chloro-1,1-dioxo-2H-1?^{6},2,4-benzothiadiazine-7-sulfonamide; Chlorothiazide (JAN/USP/INN); Chlorothiazide [USP:INN:BAN]; Prestwick_56; Diupres (Salt/Mix); Aldoclor (Salt/Mix); Spectrum_000134; Prestwick0_000251; Prestwick1_000251; Prestwick2_000251; Prestwick3_000251; Spectrum2_000154; Spectrum3_000342; Spectrum4_000280; Spectrum5_001446; Lopac-C-4911; CHEMBL842; C 4911; cid_2720; Lopac0_000254; SCHEMBL22329; BSPBio_000062; BSPBio_002003; KBioGR_000780; KBioSS_000594; BIDD:GT0635; DivK1c_000675; SPECTRUM1500180; SPBio_000288; SPBio_002281; BPBio1_000070; GTPL4835; CHEMBL3392493; DTXSID0022800; BDBM39351; Chlorothiazide, thiazide diuretic; HMS502B17; KBio1_000675; KBio2_000594; KBio2_003162; KBio2_005730; KBio3_001223; NINDS_000675; HMS1568D04; HMS1920K15; HMS2091C18; HMS2095D04; HMS2232N22; HMS3259K15; HMS3260D10; HMS3370A15; HMS3655M13; HMS3712D04; Pharmakon1600-01500180; BCP24474; HY-B0224; ZINC3872055; Tox21_110107; Tox21_200972; Tox21_500254; WLN: T66 BSWM ENJ HG ISZW; 6-chloro-4H-benzo[e][1,2,4]thiadiazine-7-sulfonamide 1,1-dioxide; CCG-38953; NSC756682; AKOS015896601; AKOS024319450; Tox21_110107_1; DB00880; LP00254; MCULE-3497410863; NC00500; NSC-756682; SDCCGSBI-0050242.P005; IDI1_000675; NCGC00015242-01; NCGC00015242-02; NCGC00015242-03; NCGC00015242-05; NCGC00015242-06; NCGC00015242-07; NCGC00015242-08; NCGC00015242-09; NCGC00015242-10; NCGC00015242-12; NCGC00015242-13; NCGC00015242-19; NCGC00091042-01; NCGC00091042-02; NCGC00091042-03; NCGC00091042-04; NCGC00091042-05; NCGC00258525-01; NCGC00260939-01; AC-18732; AS-11760; SBI-0050242.P004; AB0010688; EU-0100254; FT-0664953; Hydrochlorothiazide impurity, chlorothiazide-; SW219268-1; Chlorothiazide 100 microg/mL in Acetonitrile; C07461; D00519; AB00051940-04; AB00051940_05; AB00051940_06; 102632-EP2270011A1; 102632-EP2272841A1; 102632-EP2277879A1; 102632-EP2298776A1; 102632-EP2301936A1; Q2603363; SR-01000075604-1; SR-01000075604-3; SR-01000075604-5; W-105353; BRD-K88682005-001-05-9; BRD-K88682005-001-07-5; Z1691545266; 6-Chloro-7-sulfamoyl-2H-1,4-benzothiadiazine 1,1-dioxide; 6-Chloro-2H-1,4-benzothiadiazine-7-sulfonamide 1,1-dioxide; 6-chloro-4H-1,2,4-benzathiadiazine-7-sulfonamide-1,1-dioxide; Chlorothiazide, European Pharmacopoeia (EP) Reference Standard; 2H-1,4-Benzothiadiazine-7-sulfonamide, 6-chloro-, 1,1-dioxide; 6-chloro-1,1-dioxo-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide; 6-chloro-1,1-dioxo-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide; 6-chloro-1,1-dioxo-4H-1$l^{6,2,4-benzothiadiazine-7-sulfonamide; 6-chloro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide 1,1-dioxide; Chlorothiazide, United States Pharmacopeia (USP) Reference Standard; Chlorothiazide, Pharmaceutical Secondary Standard; Certified Reference Material
Clinical Status
Approved
Disease Indication Congestive heart failure ICD-11: BD10 [1]
PubChem CID
2720
Formula
C7H6ClN3O4S2
Canonical SMILES
C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2
InChI
1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)
InChIKey
JBMKAUGHUNFTOL-UHFFFAOYSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=2720"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 295.7 Topological Polar Surface Area 135
XlogP -0.2 Complexity 532
Heavy Atom Count 17 Rotatable Bond Count 1
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6
Full List of Drug Formulations (DFMs) Containing This API
          Chlorothiazide 250 mg tablet Click to Show/Hide the Full List of Formulation(s):          2 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Anhydrous lactose; Sodium lauryl sulfate; Magnesium stearate; Polysorbate 80; Silicon dioxide; Cellulose, microcrystalline; Sodium starch glycolate type a potato; Starch, corn
                   Dosage Form Oral Tablet
                   Company West-Ward Pharmaceticals
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Sodium lauryl sulfate DIG Info Solute carrier SLCO2B1 (Ki = 1.98 uM) [2]
Polysorbate 80 DIG Info Prostaglandin G/H synthase 1 (IC50 = 1 uM) [3]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
Silicon dioxide DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
             Drug Formulation 2 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Sodium lauryl sulfate; Magnesium stearate; Croscarmellose sodium; Silicon dioxide; Cellulose, microcrystalline
                   Dosage Form Oral Tablet
                   Company Avera McKennan Hospital; Mylan Pharamceuticals
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Sodium lauryl sulfate DIG Info Solute carrier SLCO2B1 (Ki = 1.98 uM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
Carmellose sodium DIG Info Albendazole monooxygenase (Protein expression upregulation) [4]
Silicon dioxide DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
          Chlorothiazide 500 mg tablet Click to Show/Hide the Full List of Formulation(s):          2 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Anhydrous lactose; Sodium lauryl sulfate; Magnesium stearate; Polysorbate 80; Silicon dioxide; Cellulose, microcrystalline; Sodium starch glycolate type a potato; Starch, corn
                   Dosage Form Oral Tablet
                   Company West-Ward Pharmaceticals
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Sodium lauryl sulfate DIG Info Solute carrier SLCO2B1 (Ki = 1.98 uM) [2]
Polysorbate 80 DIG Info Prostaglandin G/H synthase 1 (IC50 = 1 uM) [3]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
Silicon dioxide DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
             Drug Formulation 2 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Sodium lauryl sulfate; Magnesium stearate; Croscarmellose sodium; Silicon dioxide; Cellulose, microcrystalline
                   Dosage Form Oral Tablet
                   Company Mylan Pharamceuticals
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Sodium lauryl sulfate DIG Info Solute carrier SLCO2B1 (Ki = 1.98 uM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
Carmellose sodium DIG Info Albendazole monooxygenase (Protein expression upregulation) [4]
Silicon dioxide DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
References
1 FDA label for approved chlorothiazide from the official website of the U.S. Food and Drug Administration.
2 Bacterial metabolism rescues the inhibition of intestinal drug absorption by food and drug additives. Proc Natl Acad Sci U S A. 2020 Jul 7;117(27):16009-16018.
3 The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.
4 Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.

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