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Sodium Dihydrogen Citrate

Synopsis, Chemistry

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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

Sodium Dihydrogen Citrate

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 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	233
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 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.)