Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00416)
Name
Methyclothiazide
Synonyms    Click to Show/Hide the Synonyms of This API
methyclothiazide; 135-07-9; Enduron; Aquatensen; Methyclothiazid; Duretic; Methychlothiazide; Methycyclothiazide; Enduronum; METHYLCLOTHIAZIDE; Methylcyclothiazide; Methylchlorothiazide; Aquaresen; Ciba 7272-Su; NSC-110431; Aquatensen;Enduron; NSC 110431; UNII-R6KDH2S0SX; R6KDH2S0SX; MLS002704228; CHEBI:6847; NSC110431; Naturon (VAN); NCGC00167446-01; Meticlotiazida; Meticlotiazide; Methyclothiazidum; Meticlotiazide [DCIT]; DSSTox_CID_3313; DSSTox_RID_76970; DSSTox_GSID_23313; Meticlotiazida [INN-Spanish]; C9H11Cl2N3O4S2; Methyclothiazidum [INN-Latin]; CAS-135-07-9; Enduron (TN); HSDB 3363; EINECS 205-172-2; CI-625; BRN 0765361; Methyclothiazide (JAN/USP/INN); Methyclothiazide [USAN:USP:INN:BAN:JAN]; Methyclothiazide, (+)-; Methyclothiazide, (-)-; UNII-R00UUL4SRN; R00UUL4SRN; CHEMBL1577; SCHEMBL49396; GTPL7235; DTXSID6023313; HMS3264D19; HMS3652E06; Pharmakon1600-01503841; HY-B0562; Tox21_112450; NSC760078; AKOS015896465; Tox21_112450_1; CCG-213705; DB00232; KS-5138; MCULE-4894694501; NE47692; NSC-760078; VA11285; NCGC00167446-02; NCGC00167446-03; 96783-15-2; AS-12982; SMR001550236; AB0012760; FT-0654252; SW219271-1; C07765; D00656; WLN: T66 BSWN EM DHJ C1 D1G HG ISZW; AB01014600_03; AB01014600_04; 135M079; A806880; Q6823919; BRD-A95340155-001-05-5; 3-AMINO-3-(2,5-DIHYDROXY-PHENYL)-PROPIONICACID; Z1550675459; 6-Chloro-3-(chloromethyl)-3,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide; 96783-14-1
Clinical Status
Approved
Disease Indication Huntington disease ICD-11: 8A01 [1]
PubChem CID
4121
Formula
C9H11Cl2N3O4S2
Canonical SMILES
CN1C(NC2=CC(=C(C=C2S1(=O)=O)S(=O)(=O)N)Cl)CCl
InChI
1S/C9H11Cl2N3O4S2/c1-14-9(4-10)13-6-2-5(11)7(19(12,15)16)3-8(6)20(14,17)18/h2-3,9,13H,4H2,1H3,(H2,12,15,16)
InChIKey
CESYKOGBSMNBPD-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=4121"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 360.2 Topological Polar Surface Area 126
XlogP 1.4 Complexity 571
Heavy Atom Count 20 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7
Full List of Drug Formulations (DFMs) Containing This API
          Methyclothiazide 5 mg tablet Click to Show/Hide the Full List of Formulation(s):          1 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
Sodium lauryl sulfate; Fd&c blue no. 1; Magnesium stearate; Silicon dioxide; Cellulose, microcrystalline; Sodium starch glycolate type a potato; Starch, corn
                   Dosage Form Oral Tablet
                   Company Mylan Pharamceuticals
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
FD&C blue no. 1 DIG Info Solute carrier SLCO2B1 (Ki = 13 uM) [2]
Sodium lauryl sulfate DIG Info Solute carrier SLCO2B1 (Ki = 1.98 uM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
Silicon dioxide DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
References
1 FDA label for approved methyclothiazide 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 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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