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Chemistry

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Also known as: 7085-44-1, Chlorothiazide sodium [usan:usp], Chlorothiazide (sodium), Chlorothiazide sodium salt, Sn86fg7n2k, 6-chloro-2h-1,2,4-benzothiadiazine-7-sulfonamide, 1,1-dioxide, monosodium salt
Molecular Formula
C7H5ClN3NaO4S2
Molecular Weight
317.7  g/mol
InChI Key
CPIWHAFLBZQYLQ-UHFFFAOYSA-N
FDA UNII
SN86FG7N2K

Chlorothiazide Sodium
Chlorothiazide Sodium is the sodium salt form of chlorothiazide, a short-acting, benzothiadiazinesulfonamide derivative belonging to the class of thiazide diuretics. Chlorothiazide is excreted unchanged by the kidneys.
1 2D Structure

Chlorothiazide Sodium

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;6-chloro-1,1-dioxo-16,2,4-benzothiadiazin-2-ide-7-sulfonamide
2.1.2 InChI
InChI=1S/C7H5ClN3O4S2.Na/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5;/h1-3H,(H2-,9,10,11,12,13);/q-1;+1
2.1.3 InChI Key
CPIWHAFLBZQYLQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)[N-]C=N2.[Na+]
2.2 Other Identifiers
2.2.1 UNII
SN86FG7N2K
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 7085-44-1

2. Chlorothiazide Sodium [usan:usp]

3. Chlorothiazide (sodium)

4. Chlorothiazide Sodium Salt

5. Sn86fg7n2k

6. 6-chloro-2h-1,2,4-benzothiadiazine-7-sulfonamide, 1,1-dioxide, Monosodium Salt

7. 2h-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-, 1,1-dioxide, Monosodium Salt

8. Diuril Sodium

9. Sodium Diuril

10. Diuril (tn)

11. Chlorothiazide Sodium [usan]

12. Einecs 230-387-3

13. Unii-sn86fg7n2k

14. Lyovac Diuril

15. Chlorothiazide Sodium (usp)

16. Chembl1200616

17. Hy-b0224a

18. Dtxsid00221091

19. Chlorothiazide Sodium [vandf]

20. Chlorothiazide Sodium [mart.]

21. Chlorothiazide Sodium [who-dd]

22. Chlorothiazide Sodium Salt [mi]

23. Chlorothiazide Sodium [orange Book]

24. Chlorothiazide Sodium [usp Impurity]

25. Cs-0030911

26. D03471

27. Q27289300

2.4 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 317.7 g/mol
Molecular Formula C7H5ClN3NaO4S2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass316.9307700 g/mol
Monoisotopic Mass316.9307700 g/mol
Topological Polar Surface Area124 Ų
Heavy Atom Count18
Formal Charge0
Complexity538
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Drug and Medication Information
4.1 Drug Information
1 of 2  
Drug NameChlorothiazide sodium
Active IngredientChlorothiazide sodium
Dosage FormInjectable
RouteInjection
Strengtheq 500mg base/vial
Market StatusPrescription
CompanyFresenius Kabi Usa; Mylan Institutional; Luitpold; Sun Pharma Global

2 of 2  
Drug NameChlorothiazide sodium
Active IngredientChlorothiazide sodium
Dosage FormInjectable
RouteInjection
Strengtheq 500mg base/vial
Market StatusPrescription
CompanyFresenius Kabi Usa; Mylan Institutional; Luitpold; Sun Pharma Global

5 Pharmacology and Biochemistry
5.1 FDA Pharmacological Classification
5.1.1 Pharmacological Classes
Thiazide Diuretic [EPC]; Thiazides [CS]; Increased Diuresis [PE]

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