EcoDrugPlus


Synonyms	Alveograf Durapatite Hydroxyapatite Ossopan Ossopan 200 Ossopan 800 Periograf Tribasic calcium phosphate WIN 40350 WIN-40350
Status
Molecule Category	Mixture
UNII	91D9GV0Z28
EPA CompTox	DTXSID50872537

Synonyms

Alveograf

Durapatite

Hydroxyapatite

Ossopan

Ossopan 200

Ossopan 800

Periograf

Tribasic calcium phosphate

WIN 40350

WIN-40350

Status

Molecule Category

Mixture

UNII

91D9GV0Z28

EPA CompTox

DTXSID50872537


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	XYJRXVWERLGGKC-UHFFFAOYSA-D
Smiles	O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[OH-]
InChI	InChI=1S/5Ca.3H3O4P.H2O/c;;;;;31-5(2,3)4;/h;;;;;3(H3,1,2,3,4);1H2/q5*+2;;;;/p-10

InChI Key

XYJRXVWERLGGKC-UHFFFAOYSA-D

Smiles

O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[OH-]

InChI

InChI=1S/5Ca.3H3O4P.H2O/c;;;;;3*1-5(2,3)4;/h;;;;;3*(H3,1,2,3,4);1H2/q5*+2;;;;/p-10

Property Name	Value
Molecular Formula	HCa5O13P3
Molecular Weight	502.31
AlogP	None
Hydrogen Bond Acceptor	None
Hydrogen Bond Donor	None
Number of Rotational Bond	None
Polar Surface Area	None
Molecular species	None
Aromatic Rings	None
Heavy Atoms	None

Property Name

Value

Molecular Formula

HCa5O13P3

Molecular Weight

502.31

AlogP

None

Hydrogen Bond Acceptor

None

Hydrogen Bond Donor

None

Number of Rotational Bond

None

Polar Surface Area

None

Molecular species

None

Aromatic Rings

None

Heavy Atoms

None

Resources	Reference
ChEMBL	CHEMBL2218916
FDA SRS	91D9GV0Z28
SureChEMBL	SCHEMBL1007904

Resources

Reference

ChEMBL

CHEMBL2218916

FDA SRS

91D9GV0Z28

SureChEMBL

SCHEMBL1007904


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

DURAPATITE

Structure

Physicochemical Descriptors

Cross References