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2D Structure
Also known as: Citrofluyl, Monosodium dihydrogen citrate, Citric acid, monosodium salt, Citric acid monosodium salt, Sodium citrate monobasic, 68538up9se
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

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate
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. Monosodium Citrate

4. Sodium Citrate

5. Sodium Citrate Dihydrate

6. Sodium Citrate Monobasic

7. Sodium Citrate, Anhydrous

8. Trisodium Citrate Dihydrate

2.2.2 Depositor-Supplied Synonyms

1. Citrofluyl

2. Monosodium Dihydrogen Citrate

3. Citric Acid, Monosodium Salt

4. Citric Acid Monosodium Salt

5. Sodium Citrate Monobasic

6. 68538up9se

7. Sodium Dihydrogen Citrate Anhydrous

8. Einecs 242-734-6

9. Unii-68538up9se

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

11. Ec 242-734-6

12. E82980

2.3 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 214.10 g/mol
Molecular Formula C6H7NaO7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass214.00894684 g/mol
Monoisotopic Mass214.00894684 g/mol
Topological Polar Surface Area135 Ų
Heavy Atom Count14
Formal Charge0
Complexity233
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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.)