Chlorothiazide Sodium

Synopsis, 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 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 Formula	C₇H₅ClN₃NaO₄S₂
Molecular Weight	317.7 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	316.9307700 g/mol
Monoisotopic Mass	316.9307700 g/mol
Topological Polar Surface Area	124 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	538
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	2

4 Drug and Medication Information

4.1 Drug Information

1 of 2
Drug Name	Chlorothiazide sodium
Active Ingredient	Chlorothiazide sodium
Dosage Form	Injectable
Route	Injection
Strength	eq 500mg base/vial
Market Status	Prescription
Company	Fresenius Kabi Usa; Mylan Institutional; Luitpold; Sun Pharma Global

2 of 2
Drug Name	Chlorothiazide sodium
Active Ingredient	Chlorothiazide sodium
Dosage Form	Injectable
Route	Injection
Strength	eq 500mg base/vial
Market Status	Prescription
Company	Fresenius Kabi Usa; Mylan Institutional; Luitpold; Sun Pharma Global