General Information of DIG (ID: E0O1IF)
DIG Name
Calcium pyrophosphate
Synonyms    Click to Show/Hide the Synonyms of This DIG
CALCIUM PYROPHOSPHATE; 7790-76-3; Calcium diphosphate; CALCIUMPYROPHOSPHATE; UNII-X69NU20D19; dicalcium;phosphonato phosphate; 35405-51-7; X69NU20D19; calcium phosphono dihydrogen phosphate; 10086-45-0; Calcium phosphate, amorphous; Dicalcium diphosphate; Dicalcium pyrophosphate; MFCD00015983; alpha-Calcium pyrophosphate; Diphosphoric acid, calcium salt (1:2); Calcium phosphate (Ca2P2O7); Diphosphoric acid, calcium salt; HSDB 1435; Calcium pyrophosphate (Ca2P2O7); EINECS 232-221-5; Pyrophosphoric acid, calcium salt (1:2); Calcium phosphate (pyro); Ca2P2O7; EC 232-221-5; ACMC-1BM10; 2Ca.P2O7; CHEBI:32598; DTXSID50872512; 5138AF; AKOS015902785; Diphosphoric acid,calcium salt (2:1); Calcium pyrophosphate, tetrabasic (form i); Calcium pyrophosphate, tetrabasic (form ii); DB-023014; FT-0727361; Q4363460; 1264298-55-6; Dicalcium pyrophosphate, with a fluorine content of less than 0,005 % by weight on the dry anhydrous product
DIG Function
Acidulant; Diluent
PubChem CID
24632
Formula
Ca2O7P2
Canonical SMILES
[O-]P(=O)([O-])OP(=O)([O-])[O-].[Ca+2].[Ca+2]
InChI
1S/2Ca.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4
InChIKey
JUNWLZAGQLJVLR-UHFFFAOYSA-J
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=24632"></iframe>
3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 254.1 Topological Polar Surface Area 136
XlogP N.A. Complexity 124
Heavy Atom Count 11 Rotatable Bond Count 0
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 7
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 12 Respiratory system disease Click to Show/Hide
Glycopyrrolate
API Info
Chronic obstructive pulmonary disease [ICD-11: CA22]
[1]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Potential-driven transporter (PDT)
            DBT Name: Solute carrier SLCO2B1 (OATPB) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Promotion ratio = 37 % (tested by experiment) [2]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SO2B1_HUMAN
References
1 FDA label for approved glycopyrrolate from the official website of the U.S. Food and Drug Administration.
2 Bacterial metabolism rescues the inhibition of intestinal drug absorption by food and drug additives. Proc Natl Acad Sci U S A. 2020 Jul 7;117(27):16009-16018.

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