ContaminantDB: Iron(II) sulfate heptahydrate

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-19 04:41:39 UTC

Update Date

2016-11-09 01:15:08 UTC

Accession Number

CHEM015028

Identification

Common Name

Iron(II) sulfate heptahydrate

Class

Small Molecule

Description

A hydrate that is the heptahydrate form of iron(2+) sulfate. It is used as a source of iron in the treatment of iron-deficiency anaemia (generally in liquid-dosage treatments; for solid-dosage treatments, the monohydrate is normally used).

Contaminant Sources

FooDB Chemicals
HPV EPA Chemicals
OECD HPV Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Copperas	ChEBI
Fero-gradumet	ChEBI
Ferrous sulfate heptahydrate	ChEBI
Ferrous sulfate.7H2O	ChEBI
FeSO4.7H2O	ChEBI
Green vitriol	ChEBI
Iron vitriol	ChEBI
Iron(II) sulfate.7H2O	ChEBI
Iron(2+) sulfate.7H2O	ChEBI
Melanterite	ChEBI
Melanterite mineral	ChEBI
Tetucur-S	ChEBI
Ferrous sulfate hydrate	Kegg
Ferrous sulfuric acid heptahydric acid	Generator
Ferrous sulphate heptahydrate	Generator
Ferrous sulphuric acid heptahydric acid	Generator
Ferrous sulfuric acid.7H2O	Generator
Ferrous sulphate.7H2O	Generator
Ferrous sulphuric acid.7H2O	Generator
Iron(II) sulfuric acid.7H2O	Generator
Iron(II) sulphate.7H2O	Generator
Iron(II) sulphuric acid.7H2O	Generator
Iron(2+) sulfuric acid.7H2O	Generator
Iron(2+) sulphate.7H2O	Generator
Iron(2+) sulphuric acid.7H2O	Generator
Ferrous sulfuric acid hydric acid	Generator
Ferrous sulphate hydrate	Generator
Ferrous sulphuric acid hydric acid	Generator
Ferrous sulfuric acid anhydrous	Generator
Ferrous sulphate anhydrous	Generator
Ferrous sulphuric acid anhydrous	Generator
Ceferro	MeSH
Conferon	MeSH
Eisensulfat stada	MeSH
FERROinfant	MeSH
Feratab	MeSH
Ferogradumet	MeSH
Ferrogamma	MeSH
Haemoprotect	MeSH
Plastufer	MeSH
Ferrous sulfate, heptahydrate	MeSH
Ferro-gradumet	MeSH
Mol-iron	MeSH
Vitaferro kapseln	MeSH
Ferrous sulfate	MeSH
Aktiferrin	MeSH
Feospan	MeSH
Ferodan	MeSH
Hemobion	MeSH
Kendural	MeSH
Slow-fe	MeSH
Ferrous sulphate	MeSH
Apo-ferrous sulfate	MeSH
Eisendragees-ratiopharm	MeSH
Fer-gen-sol	MeSH
Fer-in-sol	MeSH
Ferrograd	MeSH
Hemofer	MeSH
Hämatopan	MeSH
Biofer	MeSH
Iron(II) sulfate heptahydrate	MeSH

Chemical Formula

FeH₁₄O₁₁S

Average Molecular Mass

278.015 g/mol

Monoisotopic Mass

277.961 g/mol

CAS Registry Number

7782-63-0

IUPAC Name

λ²-iron(2+) ion heptahydrate sulfate

Traditional Name

λ²-iron(2+) ion heptahydrate sulfate

SMILES

O.O.O.O.O.O.O.[Fe++].[O-]S([O-])(=O)=O

InChI Identifier

InChI=1S/Fe.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2/q+2;;;;;;;;/p-2

InChI Key

SURQXAFEQWPFPV-UHFFFAOYSA-L

Chemical Taxonomy

Description

belongs to the class of inorganic compounds known as transition metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is a transition metal.

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Transition metal oxoanionic compounds

Sub Class

Transition metal sulfates

Direct Parent

Transition metal sulfates

Alternative Parents

Substituents

Transition metal sulfate
Inorganic oxide
Inorganic salt

Molecular Framework

Not Available

External Descriptors

hydrate (CHEBI:75836 )
iron molecular entity (CHEBI:75836 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
logP	-0.84	ChemAxon
pKa (Strongest Acidic)	-3	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	80.26 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	11.53 m³·mol⁻¹	ChemAxon
Polarizability	5.81 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-004i-0090000000-07e5a7e0afbd13a574ce	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-004i-0090000000-07e5a7e0afbd13a574ce	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-004i-0090000000-07e5a7e0afbd13a574ce	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-0090000000-bd9bfdc7eca82a14131c	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-0090000000-bd9bfdc7eca82a14131c	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-0090000000-bd9bfdc7eca82a14131c	Spectrum

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

DB13257

HMDB ID

Not Available

FooDB ID

FDB014741

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

CPD0-2418

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Not Available

Chemspider ID

Not Available

ChEBI ID

75836

PubChem Compound ID

62662

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

1. https://www.ncbi.nlm.nih.gov/pubmed/?term=3729890

Iron(II) sulfate heptahydrate (CHEM015028)

Structure for CHEM015028: Iron(II) sulfate heptahydrate