EcoDrugPlus


Synonyms	Calcimax Calcium (as citrate) Calcium citrate Calcium citrate anhydrous Calcium citrate tetrahydrate Citracal E-333(III) INS NO.333(III) INS-333(III) Tricalcium citrate tetrahydrate
Status
Molecule Category	Salt-form
ATC	A12AA13
UNII	86117BWO7P
EPA CompTox	DTXSID7061148
Parent Compound:	CALCIUM

Synonyms

Calcimax

Calcium (as citrate)

Calcium citrate

Calcium citrate anhydrous

Calcium citrate tetrahydrate

Citracal

E-333(III)

INS NO.333(III)

INS-333(III)

Tricalcium citrate tetrahydrate

Status

Molecule Category

Salt-form

ATC

A12AA13

UNII

86117BWO7P

EPA CompTox

DTXSID7061148

Parent Compound:

CALCIUM


InChI Key	FNAQSUUGMSOBHW-UHFFFAOYSA-H
Smiles	O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Ca+2].[Ca+2].[Ca+2]
InChI	InChI=1S/2C6H8O7.3Ca/c27-3(8)1-6(13,5(11)12)2-4(9)10;;;/h213H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6

InChI Key

FNAQSUUGMSOBHW-UHFFFAOYSA-H

Smiles

O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Ca+2].[Ca+2].[Ca+2]

InChI

InChI=1S/2C6H8O7.3Ca/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6

Property Name	Value
Molecular Formula	C12H10Ca3O14
Molecular Weight	498.43

Property Name

Value

Molecular Formula

C12H10Ca3O14

Molecular Weight

498.43

Resources	Reference
ChEMBL	CHEMBL2106123
DrugBank	DB11093
FDA SRS	86117BWO7P
PubChem	5282392
SureChEMBL	SCHEMBL29775

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PubChem

SureChEMBL

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

CALCIUM CITRATE

Structure

Physicochemical Descriptors

Cross References