Calcium diphenoxide (CED0184681)

Record Information

Version

1.0

Creation Date

2026-04-05 19:24:32 UTC

Update Date

2026-04-05 19:24:32 UTC

Accession Number

CHEM106980

Identification

Common Name

Calcium diphenoxide

Class

Small Molecule

Description

Calcium diphenoxide belongs to the phenoxides, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid with the chemical formula C12H10CaO2.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₂H₁₀CaO₂

Average Molecular Mass

Not Available

Monoisotopic Mass

226.031 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1/2C6H6O.Ca/c2*7-6-4-2-1-3-5-6;/h2*1-5,7H;/q;;+2/p-2

InChI Key

ZMRQTIAUOLVKOX-UHFFFAOYSA-L

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenoxides. These are salts or analogous metal derivatives of phenols.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Phenoxides

Direct Parent

Phenoxides

Alternative Parents

Substituents

Phenoxide
Organic calcium salt
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organic salt
Organooxygen compound
Organic cation
Aromatic homomonocyclic compound

Molecular Framework

Not Available

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
260.0	Log mg/kg	[150:460]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
519	Electrodes	Electrical & Electronic Equipment	Not Available
545	Food Preservation	Food, food processing & cookware	Not Available
563	Soap Detergents	Household cleaning & consumer products	Not Available
614	Essential Oils Or Perfumes	Personal care & cosmetics	Not Available
652	Ropes	Textiles, leather & furnishings	Not Available
685	Ceramics	Building & Construction	Not Available
696	Nanotechnology	Industrial manufacturing & chemical processing	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	238.997
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	105.641
Click to view 3D structure	Aldehyde dehydrogenase 1A1	P51647	Rattus norvegicus	Predicted (SEA)	0.389246
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	316.613
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	406.918
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	163.561
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	340.746
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX15	P12530	Oryctolagus cuniculus	Predicted (SEA)	30.6726
Click to view 3D structure	Indoleamine 2,3-dioxygenase 1	P14902	Humans	Predicted (SEA)	92.8741
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	244.213
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	735.052
Click to view 3D structure	Sortase A	Q8CM62	Streptococcus mutans	Predicted (SEA)	28.4928
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	2189.59
Click to view 3D structure	Cytochrome P450 2A6	P11509	Humans	Predicted (SEA)	47.6437
Click to view 3D structure	Trace amine-associated receptor 1	Q96RJ0	Humans	Predicted (SEA)	148.225
Click to view 3D structure	Carbonic anhydrase	Q5AJ71	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	173.137
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	1107.33
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	3496.52
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	663.976
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	1055.56
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	4407.51
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	750.077
Click to view 3D structure	Chymotrypsinogen A	P00766	Bos taurus	Predicted (SEA)	141.608
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	42.0386
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	109.534