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ACTIVE PHARMA INGREDIENTS

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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 18996-35-5, Sodium dihydrogen citrate, Sodium 3,4-dicarboxy-3-hydroxybutanoate, Citric acid monosodium salt, 1,2,3-propanetricarboxylic acid, 2-hydroxy-, monosodium salt, Sodium dihydrogen citrate anhydrous

Molecular Formula

C₆H₇NaO₇

Molecular Weight

214.10 g/mol

InChI Key

HWPKGOGLCKPRLZ-UHFFFAOYSA-M

Sodium salts of citric acid that are used as buffers and food preservatives. They are used medically as anticoagulants in stored blood, and for urine alkalization in the prevention of KIDNEY STONES.

1 2D Structure

Citric Acid Monosodium Salt

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;3-carboxy-3,5-dihydroxy-5-oxopentanoate

2.1.2 InChI

InChI=1S/C6H8O7.Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+1/p-1

2.1.3 InChI Key

HWPKGOGLCKPRLZ-UHFFFAOYSA-M

2.1.4 Canonical SMILES

C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O.[Na+]

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Anhydrous Sodium Citrate

2. Citra Ph

3. Sodium Citrate

4. Sodium Citrate Dihydrate

5. Sodium Citrate Monobasic

6. Sodium Citrate, Anhydrous

7. Trisodium Citrate Dihydrate

2.2.2 Depositor-Supplied Synonyms

1. 18996-35-5

2. Sodium Dihydrogen Citrate

3. Sodium 3,4-dicarboxy-3-hydroxybutanoate

4. Citric Acid Monosodium Salt

5. 1,2,3-propanetricarboxylic Acid, 2-hydroxy-, Monosodium Salt

6. Sodium Dihydrogen Citrate Anhydrous

7. Sodium Dihydrogencitrate

8. Sodium;3-carboxy-3,5-dihydroxy-5-oxopentanoate

9. 1,2,3-propanetricarboxylic Acid, 2-hydroxy-, Sodium Salt

10. 1,2,3-propanetricarboxylic Acid, 2-hydroxy-, Sodium Salt (1:1)

11. Mfcd00013067

12. Mono Sodium Citrate

13. Citric Acid 1-sodium Salt

14. Schembl73101

15. Sodiumdihydrogencitrate

16. Sodium Dihydrogencitrate, 99%

17. Sodium,2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate

18. Dtxsid80872904

19. Akos027430440

20. Cs-w009322

21. Q4179018

22. Sodium Citrate Monobasic, Bioxtra, Anhydrous, >=99.5% (t)

23. Sodium Citrate Monobasic, Purum P.a., Anhydrous, >=99.0% (t)

2.3 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₆H₇NaO₇
Molecular Weight	214.10 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	214.00894684 g/mol
Monoisotopic Mass	214.00894684 g/mol
Topological Polar Surface Area	135 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	251
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Anticoagulants

Agents that prevent BLOOD CLOTTING. (See all compounds classified as Anticoagulants.)

Buffers

A chemical system that functions to control the levels of specific ions in solution. When the level of hydrogen ion in solution is controlled the system is called a pH buffer. (See all compounds classified as Buffers.)

Food Preservatives

Substances capable of inhibiting, retarding or arresting the process of fermentation, acidification or other deterioration of foods. (See all compounds classified as Food Preservatives.)

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