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Chemistry

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Also known as: 12389-15-0, Dtxsid20924633, Iron(2+) hexonate--water (1/2/2), Ft-0626417, Ft-0626418
Molecular Formula
C12H26FeO16
Molecular Weight
482.17  g/mol
InChI Key
OKGNXSFAYMSVNN-UHFFFAOYSA-L

Ferrous Gluconate
1 2D Structure

Ferrous Gluconate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
iron(2+);2,3,4,5,6-pentahydroxyhexanoate;dihydrate
2.1.2 InChI
InChI=1S/2C6H12O7.Fe.2H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;/h2*2-5,7-11H,1H2,(H,12,13);;2*1H2/q;;+2;;/p-2
2.1.3 InChI Key
OKGNXSFAYMSVNN-UHFFFAOYSA-L
2.1.4 Canonical SMILES
C(C(C(C(C(C(=O)[O-])O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.O.O.[Fe+2]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 12389-15-0

2. Dtxsid20924633

3. Iron(2+) Hexonate--water (1/2/2)

4. Ft-0626417

5. Ft-0626418

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 482.17 g/mol
Molecular Formula C12H26FeO16
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Exact Mass482.057020 g/mol
Monoisotopic Mass482.057020 g/mol
Topological Polar Surface Area285 Ų
Heavy Atom Count29
Formal Charge0
Complexity165
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count8
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count5

API SUPPLIERS

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01

Medlab Asia & Asia Health
Not Confirmed
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02

Medlab Asia & Asia Health
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Medlab Asia & Asia Health
Not Confirmed

Certificate Number : R1-CEP 1999-164 - Rev 02

Status : Suspended by EDQM GMP non-compliance

Issue Date : 2019-06-21

Type : Chemical

Substance Number : 493

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03

Medlab Asia & Asia Health
Not Confirmed
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04

Medlab Asia & Asia Health
Not Confirmed
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Medlab Asia & Asia Health
Not Confirmed

Certificate Number : R0-CEP 2009-150 - Rev 00

Status : Withdrawn by Holder

Issue Date : 2011-02-22

Type : Chemical

Substance Number : 493

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