Ferric Pyrophosphate Citrate

Synopsis, Chemistry

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SOLUTION;INTRAVENOUS - 27.2MG IRON/5ML (5.44MG IRON/ML), SOLUTION;INTRAVENOUS - 272MG IRON/50ML (5.44MG IRON/ML), POWDER;INTRAVENOUS - 272MG IRON/PACKET

SOLUTION;INTRAVENOUS - 27.2MG IRON/5ML (5.44MG IRON/ML)
SOLUTION;INTRAVENOUS - 272MG IRON/50ML (5.44MG IRON/ML)
POWDER;INTRAVENOUS - 272MG IRON/PACKET

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Also known as: Iron(iii) pyrophosphate, soluble, Bcp30644, Ferric pyrophosphate, soluble [nf], Pyrophosphoric acid, iron salt, soluble, H 61, Sodium ferricitropyrophosphate;iron(iii) pyrophosphate, soluble

Molecular Formula

C₆H₅Fe₂NaO₁₄P₂

Molecular Weight

497.72 g/mol

InChI Key

LDXGVJUZPGBCLK-UHFFFAOYSA-H

1 2D Structure

Ferric Pyrophosphate Citrate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;[hydroxy(oxido)phosphoryl] phosphate;iron(3+);2-oxidopropane-1,2,3-tricarboxylate

2.1.2 InChI

InChI=1S/C6H7O7.2Fe.Na.H4O7P2/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;1-8(2,3)7-9(4,5)6/h1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;(H2,1,2,3)(H2,4,5,6)/q-1;2*+3;+1;/p-6

2.1.3 InChI Key

LDXGVJUZPGBCLK-UHFFFAOYSA-H

2.1.4 Canonical SMILES

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])[O-].OP(=O)([O-])OP(=O)([O-])[O-].[Na+].[Fe+3].[Fe+3]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Iron(iii) Pyrophosphate, Soluble

2. Bcp30644

3. Ferric Pyrophosphate, Soluble [nf]

4. Pyrophosphoric Acid, Iron Salt, Soluble

5. H 61

6. Sodium Ferricitropyrophosphate;iron(iii) Pyrophosphate, Soluble

7. 1,2,3-propanetricarboxylic Acid, 2-hydroxy-, Iron(3+) Sodium Salt (1:1:1), Mixt. With Iron(3+) Diphosphate

2.3 Create Date

2015-02-16

3 Chemical and Physical Properties

Molecular Formula	C₆H₅Fe₂NaO₁₄P₂
Molecular Weight	497.72 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	3
Exact Mass	497.775094 g/mol
Monoisotopic Mass	497.775094 g/mol
Topological Polar Surface Area	276 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	364
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	5