CALCIUM DIASPARTATE TRIHYDRATE

US Previously Marketed

First marketed in 1921

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C4H5NO4.Ca.2H.3H2O
Molecular Weight	358.313
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CALCIUM DIASPARTATE TRIHYDRATE

Structure Search

SMILES

[H+].[H+].O.O.O.[Ca++].N[C@@H](CC([O-])=O)C([O-])=O.N[C@@H](CC([O-])=O)C([O-])=O

InChI

InChIKey=ZDGBQWHMMCENFS-UBMJGTQTSA-L

InChI=1S/2C4H7NO4.Ca.3H2O/c2*5-2(4(8)9)1-3(6)7;;;;/h2*2H,1,5H2,(H,6,7)(H,8,9);;3*1H2/q;;+2;;;/p-2/t2*2-;;;;/m00..../s1

HIDE SMILES / InChI

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C4H7NO4
Molecular Weight	133.1027
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.worldcat.org/title/fundamentals-of-biochemistry-life-at-the-molecular-level/oclc/910538334Advances in Protein Chemistry (1945), v.2, p.308, retrieved from: https://books.google.ru/books?id=QRyhIaEwrngC
Curator's Comment: description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/15703381 | https://www.ncbi.nlm.nih.gov/pubmed/3814227 | https://www.ncbi.nlm.nih.gov/pubmed/16061593

Disodium aspartate is used in organic biosynthesis.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Potency
Isoaspartyl peptidase/L-asparaginase 8 Target ID: Q7L266 Gene ID: 80150.0 Gene Symbol: ASRGL1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/3334241 \| https://www.ncbi.nlm.nih.gov/pubmed/7056352	Interacts 323
Glutamate [NMDA] receptor 125 Target ID: CHEMBL2094124 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15703381	Activator 1447	18.4 µM [EC50]
Beta-glucuronidase 13 Target ID: P08236 Gene ID: 2990.0 Gene Symbol: GUSB Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/16061593	Inhibitor 8504

Conditions

Condition	Modality	Highest Phase	Product
Unknown 2596
Opiate abstinence syndrome 8 Sources: https://www.ncbi.nlm.nih.gov/pubmed/3814227	Primary	Natural Metabolite	Unknown Approved Use Unknown
Neonatal jaundice 8 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16061593	Primary	Natural Metabolite	Unknown Approved Use Unknown

Doses

Dose	Population	Adverse events
6 g 1 times / day multiple, oral Highest studied dose Dose: 6 g, 1 times / day Route: oral Route: multiple Dose: 6 g, 1 times / day Sources: https://pubmed.ncbi.nlm.nih.gov/28841667	healthy, 22.4 ± 2.6 years Health Status: healthy Age Group: 22.4 ± 2.6 years Sex: M Sources: https://pubmed.ncbi.nlm.nih.gov/28841667	Sources: https://pubmed.ncbi.nlm.nih.gov/28841667

Overview

CYP3A4	CYP2C9	CYP2D6	hERG

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
OAT1 725	Aspartoacylase 8 ASNS 8 ASCT2 12 ASCT1 8 SLC22A13 8 OAT1 395

Drug as perpetrator

Target	Modality	Activity	Metabolite	Clinical evidence
OAT1 730	inhibitor 4027 Sources: https://pubmed.ncbi.nlm.nih.gov/23255614/ Page: -	no

Drug as victim

Target	Modality	Activity
OAT1 395	substrate 4014 Sources: https://pubmed.ncbi.nlm.nih.gov/23255614/ Page: -	no
ASCT1 8	substrate 4014 Sources: https://onlinelibrary.wiley.com/doi/full/10.1046/j.1471-4159.2003.02063.x Page: -	yes
ASCT2 12	substrate 4014 Sources: https://onlinelibrary.wiley.com/doi/full/10.1046/j.1471-4159.2003.02063.x Page: -	yes
ASNS 8	substrate 4014 Sources: https://www.sciencedirect.com/science/article/pii/S1096719215300421 Page: -	yes
Aspartoacylase 8	substrate 4014 Sources: https://pubmed.ncbi.nlm.nih.gov/12706335/ Page: -	yes
SLC22A13 8	substrate 4014 Sources: https://pubmed.ncbi.nlm.nih.gov/24147638/ Page: -	yes

Sourcing

Vendor/Aggregator	ID	URL
ChEBI	CHEBI:22660	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:22660
ChemicalBook	CB7233502	https://www.chemicalbook.com/ChemicalProductProperty_EN_CB7233502
eMolecules	478747	https://www.emolecules.com/cgi-bin/more?vid=478747
MolPort	MolPort-001-781-456	https://www.molport.com/shop/molecule-link/MolPort-001-781-456
MolPort	MolPort-047-345-807	https://www.molport.com/shop/molecule-link/MolPort-047-345-807

PubMed

Title	Date	PubMed
Ketanserin for the treatment of preeclampsia.	2001	11234612
Characterization of the protective effects of melatonin and related indoles against alpha-naphthylisothiocyanate-induced liver injury in rats.	2001	11169730
Phase I and pharmacokinetic study of ecteinascidin 743 administered as a 72-hour continuous intravenous infusion in patients with solid malignancies.	2001 Feb	11234874
Comparison of clinical, virologic and pathologic features in patients with acute hepatitis B and C.	2001 Feb	11207903
Endotoxin clearance and its relation to hepatic and renal disturbances in rats with liver cirrhosis.	2001 Feb	11169075
Severe veno-occlusive disease after allogeneic bone marrow or peripheral stem cell transplantation--role of transjugular intrahepatic portosystemic shunt (TIPS).	2001 Feb	11169070
Covariate effects on the apparent clearance of tacrolimus in paediatric liver transplant patients undergoing conversion therapy.	2001 Jan	11236810
The effect of cyclooxygenase-2 inhibitor FK3311 on ischemia-reperfusion injury in a canine total hepatic vascular exclusion model.	2001 Jan	11192923
Oxygen free radical generation in healthy blood donors and cardiac patients: the protective effect of allopurinol.	2001 Jan	11192309
Elevation of hepatic transaminases after enoxaparin use: case report and review of unfractionated and low-molecular-weight heparin-induced hepatotoxicity.	2001 Jan	11191729
Pregnancy complicated by pre-eclampsia-eclampsia with HELLP syndrome.	2001 Jan	11146072
Studies on the effects of lactate transport inhibition, pyruvate, glucose and glutamine on amino acid, lactate and glucose release from the ischemic rat cerebral cortex.	2001 Jan	11145998
Analysis of the subsite specificity of rat insulysin using fluorogenic peptide substrates.	2001 Jan 12	11042190
Inhibition of evoked glutamate release by the neuroprotective 5-HT(1A) receptor agonist BAY x 3702 in vitro and in vivo.	2001 Jan 5	11146061
Association between serum concentrations of hexachlorobenzene and polychlorobiphenyls with thyroid hormone and liver enzymes in a sample of the general population.	2001 Mar	11171930
Site-directed mutations in the mitochondrially encoded subunits I and III of yeast cytochrome oxidase.	2001 Mar 1	11171120
Differential effects of endomorphin-1 and -2 on amphetamine sensitization: neurochemical and behavioral aspects.	2001 Mar 1	11169772
Crystal structure of Lyme disease antigen outer surface protein C from Borrelia burgdorferi.	2001 Mar 30	11139584

Patents

Sample Use Guides

In Vivo Use Guide

Aspartic acid is a nutrient component found in animal and vegetable sources. In clinical trials to alleviate opioid abstinence it was administered orally.

Route of Administration: Oral

In Vitro Use Guide

Activation of recombinant NMDA receptors was measured using two-electrode voltage clamp. Current and voltage electrodes were made from thin-walled borosilicate glass using a PP-830 electrode puller and when filled with 3 M KCl, possessed resistances of between 0.5 and 1.5 MΩ. Oocytes were voltage-clamped at potentials of -40 mV. Aspartate was able to activate wild type NR1/NR2A NMDA receptors with EC50 of 18.4 uM.

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:37:43 GMT 2025` Edited by `admin` on `Mon Mar 31 21:37:43 GMT 2025`
Record UNII	09U1335X8K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALCIUM DIASPARTATE TRIHYDRATE

Systematic Name

English

CALCIUM L-ASPARTATE HYDRATE

Preferred Name

English

L-ASPARTIC ACID, CALCIUM SALT, HYDRATE (2:1:3)

Common Name

English

ASPARA-CA

Brand Name

English

CALCIUM L-ASPARTATE TRIHYDRATE

Systematic Name

English

CALCIUM L-ASPARTATE HYDRATE [JAN]

Common Name

English

L-ASPARTIC ACID, CALCIUM SALT (2:1), TRIHYDRATE

Common Name

English

Code System Code Type Description

EVMPD

SUB33471