EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
UNII	8129HW7C6M
EPA CompTox	DTXSID50892154

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

UNII

8129HW7C6M

EPA CompTox

DTXSID50892154


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


InChI Key	UDAFJYBQIVAEAO-UHFFFAOYSA-K
Smiles	[NH4+].[NH4+].[NH4+].[OH-].[OH-].[Zr+4].[O-]C([O-])=O.[O-]C([O-])=O
InChI	InChI=1S/2CH2O3.3H3N.2H2O.Zr/c22-1(3)4;;;;;;/h2(H2,2,3,4);31H3;21H2;/q;;;;;;;+4/p-3

InChI Key

UDAFJYBQIVAEAO-UHFFFAOYSA-K

Smiles

[NH4+].[NH4+].[NH4+].[OH-].[OH-].[Zr+4].[O-]C([O-])=O.[O-]C([O-])=O

InChI

InChI=1S/2CH2O3.3H3N.2H2O.Zr/c2*2-1(3)4;;;;;;/h2*(H2,2,3,4);3*1H3;2*1H2;/q;;;;;;;+4/p-3

Property Name	Value
Molecular Formula	C2H14N3O8Zr
Molecular Weight	297.98
AlogP	-4.73
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	0.0
Polar Surface Area	291.55
Molecular species	None
Aromatic Rings	0.0
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C2H14N3O8Zr

Molecular Weight

297.98

AlogP

-4.73

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

0.0

Polar Surface Area

291.55

Molecular species

None

Aromatic Rings

0.0

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	68309-95-5
NORMAN SUSDAT
FDA SRS	8129HW7C6M
PubChem	138394978

Resources

Reference

CAS NUMBER

68309-95-5

NORMAN SUSDAT

FDA SRS

8129HW7C6M

PubChem

138394978


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).

AMMONIUM ZIRCONIUM CARBONATE

Structure

Physicochemical Descriptors

Cross References