Pyrophosphoric acid

Identification

Summary

Pyrophosphoric acid is an ingredient of a radiopharmaceutical used to visualize bone abnormalities and cardiovascular abnormalities and also used as an ingredient in some products to prevent iron deficiency anemia.

Generic Name

Pyrophosphoric acid

DrugBank Accession Number

DB04160

Background

Not Available

Type

Small Molecule

Groups

Approved, Experimental

Structure

3D

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MOLSDF3D-SDFPDBSMILESInChI

Similar Structures

Structure for Pyrophosphoric acid (DB04160)

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Weight

Average: 177.9751
Monoisotopic: 177.943225506

Chemical Formula

H₄O₇P₂

Synonyms

• acide diphosphorique
• Diphosphoric acid
• Diphosphorsäure
• Pyrophosphorsäure

Pharmacology

Indication

Not Available

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Associated Conditions

• Gastrointestinal Hemorrhage
• Iron Deficiency Anemia caused by hemodialysis-dependent chronic kidney disease (HDD-CKD)
• Myocardial Infarction

Contraindications & Blackbox Warnings

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Pharmacodynamics

Not Available

Mechanism of action

Target	Actions	Organism
UFarnesyl diphosphate synthase	modulator	Escherichia coli (strain K12)

Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism

Not Available

Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects

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Toxicity

Not Available

Pathways

Pathway	Category
Carbamoyl Phosphate Synthetase Deficiency	Disease
Argininosuccinic Aciduria	Disease
Glycine and Serine Metabolism	Metabolic
Ammonia Recycling	Metabolic
Inositol Metabolism	Metabolic
Propanoate Metabolism	Metabolic
Arginine and Proline Metabolism	Metabolic
Selenoamino Acid Metabolism	Metabolic
Galactose Metabolism	Metabolic
Histidine Metabolism	Metabolic
Pyrimidine Metabolism	Metabolic
Purine Metabolism	Metabolic
Fatty Acid Metabolism	Metabolic
Starch and Sucrose Metabolism	Metabolic
Pyruvate Metabolism	Metabolic
Glutamate Metabolism	Metabolic
Butyrate Metabolism	Metabolic
Simvastatin Action Pathway	Drug action
Pravastatin Action Pathway	Drug action
Rosuvastatin Action Pathway	Drug action
Zoledronate Action Pathway	Drug action
Pamidronate Action Pathway	Drug action
Fluvastatin Action Pathway	Drug action
Betaine Metabolism	Metabolic
Biotinidase Deficiency	Disease
Cystathionine beta-Synthase Deficiency	Disease
Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency)	Disease
Histidinemia	Disease
Leigh Syndrome	Disease
MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy)	Disease

Pharmacogenomic Effects/ADRs

Not Available

Interactions

Drug Interactions

This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.

• Approved
• Vet approved
• Nutraceutical
• Illicit
• Withdrawn
• Investigational
• Experimental
• All Drugs

Drug	Interaction
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Aluminum hydroxide	Aluminum hydroxide can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy.
Calcium acetate	Calcium acetate can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy.
Calcium carbonate	Calcium carbonate can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy.
Calcium chloride	Calcium chloride can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy.
Calcium citrate	Calcium citrate can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy.
Calcium glucoheptonate	Calcium glucoheptonate can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy.
Calcium gluconate	Calcium gluconate can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy.
Calcium lactate	Calcium lactate can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy.
Calcium Phosphate	Calcium Phosphate can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy.
Calcium polycarbophil	Calcium polycarbophil can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy.

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Food Interactions

No interactions found.

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Product Ingredients

Ingredient	UNII	CAS	InChI Key
Sodium pyrophosphate	O352864B8Z	7722-88-5	FQENQNTWSFEDLI-UHFFFAOYSA-J
Sodium pyrophosphate decahydrate	IY3DKB96QW	13472-36-1	VZWGHDYJGOMEKT-UHFFFAOYSA-J

Brand Name Prescription Products

Name	Dosage	Strength	Route	Labeller	Marketing Start	Marketing End	Region	Image
Pyrophosphate	Injection, powder, lyophilized, for solution	27.6 mg/1	Intravenous	Anazao Health Corporation	2012-05-23	Not applicable

Mixture Products

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End	Region	Image
Dr. DADDYS GumToothpaste	Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (17 g/100g) + Sodium fluorophosphate (0.76 g/100g) + alpha-Tocopherol acetate (0.2 g/100g)	Paste, dentifrice	Dental	TB Healthcare Co., Ltd.	2021-11-06	Not applicable
Dr. DADDYS GumToothpaste	Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (17 g/100g) + Sodium fluorophosphate (0.76 g/100g) + alpha-Tocopherol acetate (0.2 g/100g)	Paste, dentifrice	Dental	TB Healthcare Co., Ltd.	2021-11-06	Not applicable
Dr. DADDYS Junior Toothpaste(Green grape)	Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (15 g/100g) + Sodium fluorophosphate (0.758 g/100g)	Paste, dentifrice	Dental	TB Healthcare Co., Ltd.	2022-02-26	Not applicable
Dr. DADDYS Kids Tooth	Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (13 g/100g) + Sodium fluorophosphate (0.36 g/100g)	Paste, dentifrice	Dental	TB Healthcare Co., Ltd.	2021-01-01	Not applicable
Dr. DADDYS Kids Toothpaste(Raspberry flavor)	Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) + Sodium fluorophosphate (0.36 g/100g)	Paste, dentifrice	Dental	TB Healthcare Co., Ltd.	2021-09-20	Not applicable
Dr. DADDYS Tooth	Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g)	Paste, dentifrice	Dental	TB Healthcare Co., Ltd.	2020-12-01	Not applicable
Dr.chois Toothpaste Care	Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14.0 g/100g) + alpha-Tocopherol acetate (0.1 g/100g)	Paste, dentifrice	Topical	Doctor Choi`s Korea Co., LTD.	2022-09-01	Not applicable
Dr.chois Toothpaste Care Plus	Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14.0 g/100g) + alpha-Tocopherol acetate (0.1 g/100g)	Paste, dentifrice	Topical	Doctor Choi`s Korea Co., LTD.	2022-09-01	Not applicable
Dr.chois Toothpaste Fresh	Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (17.0 g/100g) + Sodium fluorophosphate (0.76 g/100g) + alpha-Tocopherol acetate (0.2 g/100g)	Paste, dentifrice	Topical	Doctor Choi`s Korea Co., LTD.	2022-09-01	Not applicable
Dr.DADDYS Junior Toothpaste(Mint flavor)	Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (15 g/100g) + Sodium fluorophosphate (0.758 g/100g)	Paste, dentifrice	Dental	TB Healthcare Co., Ltd.	2022-02-26	Not applicable

Unapproved/Other Products

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End	Region	Image
Dr. DADDYS GumToothpaste	Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (17 g/100g) + Sodium fluorophosphate (0.76 g/100g) + alpha-Tocopherol acetate (0.2 g/100g)	Paste, dentifrice	Dental	TB Healthcare Co., Ltd.	2021-11-06	Not applicable
Dr. DADDYS GumToothpaste	Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (17 g/100g) + Sodium fluorophosphate (0.76 g/100g) + alpha-Tocopherol acetate (0.2 g/100g)	Paste, dentifrice	Dental	TB Healthcare Co., Ltd.	2021-11-06	Not applicable
Dr. DADDYS Junior Toothpaste(Green grape)	Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (15 g/100g) + Sodium fluorophosphate (0.758 g/100g)	Paste, dentifrice	Dental	TB Healthcare Co., Ltd.	2022-02-26	Not applicable
Dr. DADDYS Kids Tooth	Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (13 g/100g) + Sodium fluorophosphate (0.36 g/100g)	Paste, dentifrice	Dental	TB Healthcare Co., Ltd.	2021-01-01	Not applicable
Dr. DADDYS Kids Toothpaste(Raspberry flavor)	Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) + Sodium fluorophosphate (0.36 g/100g)	Paste, dentifrice	Dental	TB Healthcare Co., Ltd.	2021-09-20	Not applicable
Dr. DADDYS Tooth	Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g)	Paste, dentifrice	Dental	TB Healthcare Co., Ltd.	2020-12-01	Not applicable
Dr.chois Toothpaste Care	Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14.0 g/100g) + alpha-Tocopherol acetate (0.1 g/100g)	Paste, dentifrice	Topical	Doctor Choi`s Korea Co., LTD.	2022-09-01	Not applicable
Dr.chois Toothpaste Care Plus	Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14.0 g/100g) + alpha-Tocopherol acetate (0.1 g/100g)	Paste, dentifrice	Topical	Doctor Choi`s Korea Co., LTD.	2022-09-01	Not applicable
Dr.chois Toothpaste Fresh	Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (17.0 g/100g) + Sodium fluorophosphate (0.76 g/100g) + alpha-Tocopherol acetate (0.2 g/100g)	Paste, dentifrice	Topical	Doctor Choi`s Korea Co., LTD.	2022-09-01	Not applicable
Dr.DADDYS Junior Toothpaste(Mint flavor)	Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (15 g/100g) + Sodium fluorophosphate (0.758 g/100g)	Paste, dentifrice	Dental	TB Healthcare Co., Ltd.	2022-02-26	Not applicable

Categories

Drug Categories

• Acids
• Acids, Noncarboxylic
• Anions
• Electrolytes
• Ions
• Phosphate salts
• Phosphoric Acids
• Phosphorus Acids
• Phosphorus Compounds
• Polyphosphates

Chemical TaxonomyProvided by Classyfire

Description

This compound belongs to the class of inorganic compounds known as non-metal pyrophosphates. These are inorganic non-metallic compounds containing a pyrophosphate as its largest oxoanion.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Non-metal oxoanionic compounds

Sub Class

Non-metal pyrophosphates

Direct Parent

Non-metal pyrophosphates

Alternative Parents

Inorganic oxides

Substituents

Inorganic oxide / Non-metal pyrophosphate

Molecular Framework

Not Available

External Descriptors

phosphorus oxoacid, acyclic phosphorus acid anhydride (CHEBI:29888)

Affected organisms

Not Available

Chemical Identifiers

UNII

4E862E7GRQ

CAS number

2466-09-3

InChI Key

XPPKVPWEQAFLFU-UHFFFAOYSA-N

InChI

InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)

IUPAC Name

(phosphonooxy)phosphonic acid

SMILES

OP(O)(=O)OP(O)(O)=O

References

Synthesis Reference

Kiyoshi Nakayama, Hiroshi Hagino, "Method for preparing cytidine diphosphate choline." U.S. Patent USRE0288861, issued August 15, 1972.

USRE0288861

General References

Not Available

External Links

Human Metabolome Database

HMDB0000250

KEGG Compound

C00013

PubChem Compound

1023

PubChem Substance

46507760

ChemSpider

996

BindingDB

50147591

RxNav

1546425

ChEBI

29888

ChEMBL

CHEMBL1160571

ZINC

ZINC000006827695

PDBe Ligand

PPV

Wikipedia

Pyrophosphoric_acid

PDB Entries

1xsp / 2bcq / 2bcr / 2bcs / 2bcu / 2e90 / 2e9t / 2e9z / 2ec0 / 2o1c …

show 162 more

Clinical Trials

Clinical Trials

Phase	Status	Purpose	Conditions	Count
Not Available	Completed	Treatment	Tooth Bleaching	1

Pharmacoeconomics

Manufacturers

Not Available

Packagers

Not Available

Dosage Forms

Form	Route	Strength
Paste, dentifrice	Topical
Paste	Topical
Paste, dentifrice	Dental
Paste, dentifrice	Oral
Paste	Dental
Injection, powder, lyophilized, for solution	Intravenous
Injection, powder, lyophilized, for solution	Intravenous	27.6 mg/1
Injection, powder, for solution	Intravenous
Injection, powder, for solution	Intravenous	20 mg/Vial
Tablet	Oral

Prices

Not Available

Patents

Not Available

Properties

State

Solid

Experimental Properties

Property	Value	Source
melting point (°C)	61 °C	PhysProp

Predicted Properties

Property	Value	Source
logP	-1.4	Chemaxon
pKa (Strongest Acidic)	1.7	Chemaxon
Physiological Charge	-3	Chemaxon
Hydrogen Acceptor Count	6	Chemaxon
Hydrogen Donor Count	4	Chemaxon
Polar Surface Area	124.29 Å2	Chemaxon
Rotatable Bond Count	2	Chemaxon
Refractivity	25.52 m3·mol-1	Chemaxon
Polarizability	10.28 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

Predicted ADMET Features

Property	Value	Probability
Human Intestinal Absorption	-	0.7458
Blood Brain Barrier	+	0.9868
Caco-2 permeable	-	0.6915
P-glycoprotein substrate	Non-substrate	0.8723
P-glycoprotein inhibitor I	Non-inhibitor	0.9435
P-glycoprotein inhibitor II	Non-inhibitor	0.9596
Renal organic cation transporter	Non-inhibitor	0.9497
CYP450 2C9 substrate	Non-substrate	0.8692
CYP450 2D6 substrate	Non-substrate	0.8528
CYP450 3A4 substrate	Non-substrate	0.7126
CYP450 1A2 substrate	Non-inhibitor	0.8947
CYP450 2C9 inhibitor	Non-inhibitor	0.8759
CYP450 2D6 inhibitor	Non-inhibitor	0.9335
CYP450 2C19 inhibitor	Non-inhibitor	0.8574
CYP450 3A4 inhibitor	Non-inhibitor	0.9413
CYP450 inhibitory promiscuity	Low CYP Inhibitory Promiscuity	0.9653
Ames test	Non AMES toxic	0.828
Carcinogenicity	Carcinogens	0.6317
Biodegradation	Ready biodegradable	0.835
Rat acute toxicity	2.9431 LD50, mol/kg	Not applicable
hERG inhibition (predictor I)	Weak inhibitor	0.8422
hERG inhibition (predictor II)	Non-inhibitor	0.973

ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	Not Available
GC-MS Spectrum - GC-EI-TOF	GC-MS	splash10-0002-0972000000-a80f120dd426991d6eff
GC-MS Spectrum - GC-EI-TOF	GC-MS	splash10-0udi-0741900000-9c5b3c334561dd282116
GC-MS Spectrum - GC-EI-TOF	GC-MS	splash10-03di-0920000000-a5ad76aa129d898d71f8
GC-MS Spectrum - GC-EI-TOF	GC-MS	splash10-03di-0910000000-531d3e19493dc29d6e5c
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004j-4900000000-fab623ebd43ab1452b9f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-9400000000-b2565f0d436385569cff
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000t-9300000000-ac978f84efc222da7b43
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0900000000-21c64963e1ff18b360e1
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-9700000000-54e41043f009fe6db86c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-9000000000-2a5f69c16aa671275a62

Targets

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Details1. Farnesyl diphosphate synthase

Kind

Protein

Organism

Escherichia coli (strain K12)

Pharmacological action

Unknown

Actions

Modulator

General Function

Metal ion binding

Specific Function

Not Available

Gene Name

ispA

Uniprot ID

P22939

Uniprot Name

Farnesyl diphosphate synthase

Molecular Weight

32159.22 Da

References

1. Sun S, McKenna CE: Farnesyl pyrophosphate synthase modulators: a patent review (2006 - 2010). Expert Opin Ther Pat. 2011 Sep;21(9):1433-51. doi: 10.1517/13543776.2011.593511. Epub 2011 Jun 25. [Article]

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Drug created at June 13, 2005 13:24 / Updated at September 25, 2023 03:55