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Details

Stereochemistry ACHIRAL
Molecular Formula 3Na.HO7P2
Molecular Weight 243.9206
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRISODIUM DIPHOSPHATE

SMILES

[Na+].[Na+].[Na+].OP([O-])(=O)OP([O-])([O-])=O

InChI

InChIKey=MLIKYFGFHUYZAL-UHFFFAOYSA-K
InChI=1S/3Na.H4O7P2/c;;;1-8(2,3)7-9(4,5)6/h;;;(H2,1,2,3)(H2,4,5,6)/q3*+1;/p-3

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula HO7P2
Molecular Weight 174.9513
Charge -3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/11401820 | https://www.ncbi.nlm.nih.gov/pubmed/27061894 | http://www.food-info.net/uk/e/e450.htm

Inorganic pyrophosphate (PPi ) has long been known as a by-product of many intracellular biosynthetic reactions. PPi plays the regulatory role in living systems, such as activities of enzymes, fidelity of syntheses of macromolecules, and proliferation of cells. PPi is used as a biochemical energy source instead of ATP especially in bacteria, protists, and plants. PPi may also regulate the formation and dissolution of bone as well as pathologic calcification of soft tissues and the formation of urinary stones. The formation of calcium pyrophosphate dihydrate crystals in the extracellular fluids of joints cause the disease called pseudogout. Sodium, potassium and calcium pyrophosphates (E450) are used as food additives as buffers and emulsifiers.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Diagnostic
Stannous Pyrophosphate

Approved Use

https://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=30046b6b-09ea-46b1-8e60-61c53e1e7282
Diagnostic
Stannous Pyrophosphate

Approved Use

https://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=30046b6b-09ea-46b1-8e60-61c53e1e7282
Diagnostic
Stannous Pyrophosphate

Approved Use

https://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=30046b6b-09ea-46b1-8e60-61c53e1e7282
PubMed

PubMed

TitleDatePubMed
Antiviral effects of phosphonoformate (PFA, foscarnet sodium).
1982
PPi analogs as inhibitors of human T-lymphotropic virus type III reverse transcriptase.
1986 May
Identification of the amino acid in the human immunodeficiency virus type 1 reverse transcriptase involved in the pyrophosphate binding of antiviral nucleoside triphosphate analogs and phosphonoformate. Implications for multiple drug resistance.
1993 Dec 14
Biochemical characterization of HIV-1 reverse transcriptases encoding mutations at amino acid residues 161 and 208 involved in resistance to phosphonoformate.
1998 Dec 15
Drug resistance mutations in the nucleotide binding pocket of human immunodeficiency virus type 1 reverse transcriptase differentially affect the phosphorolysis-dependent primer unblocking activity in the presence of stavudine and zidovudine and its inhibition by efavirenz.
2005 Jan
Structure-activity relationships among the nitrogen containing bisphosphonates in clinical use and other analogues: time-dependent inhibition of human farnesyl pyrophosphate synthase.
2008 Apr 10
Patents

Sample Use Guides

In Vivo Use Guide
Acceptable Daily Intake: Up to 70 mg/kg bodyweight for all pyrophosphate containing food additives
Route of Administration: Oral
In Vitro Use Guide
pyrophosphoric acid at the concentration of 0.1 - 1.0 mM does not affect spore germination of Streptomyces galilaeus ATCC 31133.
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:42:43 UTC 2023
Edited
by admin
on Fri Dec 15 19:42:43 UTC 2023
Record UNII
AR7OGW33N1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRISODIUM DIPHOSPHATE
Systematic Name English
Code System Code Type Description
DAILYMED
AR7OGW33N1
Created by admin on Fri Dec 15 19:42:43 UTC 2023 , Edited by admin on Fri Dec 15 19:42:43 UTC 2023
PRIMARY
ECHA (EC/EINECS)
238-735-6
Created by admin on Fri Dec 15 19:42:43 UTC 2023 , Edited by admin on Fri Dec 15 19:42:43 UTC 2023
PRIMARY
FDA UNII
AR7OGW33N1
Created by admin on Fri Dec 15 19:42:43 UTC 2023 , Edited by admin on Fri Dec 15 19:42:43 UTC 2023
PRIMARY
EPA CompTox
DTXSID70872534
Created by admin on Fri Dec 15 19:42:43 UTC 2023 , Edited by admin on Fri Dec 15 19:42:43 UTC 2023
PRIMARY
GRAS Notification (GRN No.)
300
Created by admin on Fri Dec 15 19:42:43 UTC 2023 , Edited by admin on Fri Dec 15 19:42:43 UTC 2023
PRIMARY
CAS
14691-80-6
Created by admin on Fri Dec 15 19:42:43 UTC 2023 , Edited by admin on Fri Dec 15 19:42:43 UTC 2023
PRIMARY
RXCUI
2046778
Created by admin on Fri Dec 15 19:42:43 UTC 2023 , Edited by admin on Fri Dec 15 19:42:43 UTC 2023
PRIMARY
PUBCHEM
161081
Created by admin on Fri Dec 15 19:42:43 UTC 2023 , Edited by admin on Fri Dec 15 19:42:43 UTC 2023
PRIMARY
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