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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

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 H
Molecular Weight 1.0079
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H5NO4
Molecular Weight 131.0868
Charge -2
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Description
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

Curator's Comment: Aspartic acid is produced in the brain and acts as endogenous neurotransmitter.

Originator

Curator's Comment: Aspartic acid was first discovered in 1827 by Auguste-Arthur Plisson and Étienne Ossian Henry by hydrolysis of asparagine, which had been isolated from asparagus juice in 1806

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: Q7L266
Gene ID: 80150.0
Gene Symbol: ASRGL1
Target Organism: Homo sapiens (Human)
18.4 µM [EC50]
Target ID: P08236
Gene ID: 2990.0
Gene Symbol: GUSB
Target Organism: Homo sapiens (Human)
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
Primary
Unknown

Approved Use

Unknown
Doses

Doses

DosePopulationAdverse 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:
healthy, 22.4 ± 2.6 years
n = 10
Health Status: healthy
Age Group: 22.4 ± 2.6 years
Sex: M
Population Size: 10
Sources:
Overview

Overview

CYP3A4CYP2C9CYP2D6hERG

OverviewOther

Other InhibitorOther SubstrateOther Inducer







Drug as perpetrator​

Drug as perpetrator​

TargetModalityActivityMetaboliteClinical evidence
no
Drug as victim
PubMed

PubMed

TitleDatePubMed
Ketanserin for the treatment of preeclampsia.
2001
Characterization of the protective effects of melatonin and related indoles against alpha-naphthylisothiocyanate-induced liver injury in rats.
2001
Phase I and pharmacokinetic study of ecteinascidin 743 administered as a 72-hour continuous intravenous infusion in patients with solid malignancies.
2001 Feb
Aging-induced changes in 24-h rhythms of mitogenic responses, lymphocyte subset populations and neurotransmitter and amino acid content in rat submaxillary lymph nodes during Freund's adjuvant arthritis.
2001 Feb
Protective effect of allopurinol on hepatic energy metabolism in ischemic and reperfused rat liver.
2001 Feb
Comparison of clinical, virologic and pathologic features in patients with acute hepatitis B and C.
2001 Feb
Increase of chemokine interferon-inducible protein-10 (IP-10) in the serum of patients with autoimmune liver diseases and increase of its mRNA expression in hepatocytes.
2001 Feb
Design, X-ray crystallography, molecular modelling and thermal stability studies of mutant enzymes at site 172 of 3-isopropylmalate dehydrogenase from Thermus thermophilus.
2001 Feb
Endotoxin clearance and its relation to hepatic and renal disturbances in rats with liver cirrhosis.
2001 Feb
Severe veno-occlusive disease after allogeneic bone marrow or peripheral stem cell transplantation--role of transjugular intrahepatic portosystemic shunt (TIPS).
2001 Feb
Extracellular amino acid levels measured with intracerebral microdialysis in the model of posttraumatic epilepsy induced by intracortical iron injection.
2001 Feb
Serum hepatic biochemical activity in two populations of workers exposed to styrene.
2001 Feb
A molecular variant of the APC gene at codon 1822: its association with diet, lifestyle, and risk of colon cancer.
2001 Feb 1
DNA-protein crosslinks induced by nickel compounds in isolated rat lymphocytes: role of reactive oxygen species and specific amino acids.
2001 Feb 1
Protective effect of stiripentol on acetaminophen-induced hepatotoxicity in rat.
2001 Feb 1
Evidence for glutamate receptor mediated transmission at mechanoreceptors in the skin.
2001 Feb 12
Sodium nitroprusside-induced seizures and adenosine release in rat hippocampus.
2001 Feb 16
Alteration of caspases and apoptosis-related proteins in brains of patients with Alzheimer's disease.
2001 Feb 16
Evidence for microvesicular storage and release of glycine in rodent pinealocytes.
2001 Feb 16
A novel osteopontin-like protein is expressed in the trout ovary during ovulation.
2001 Feb 2
Covariate effects on the apparent clearance of tacrolimus in paediatric liver transplant patients undergoing conversion therapy.
2001 Jan
Coagulation profile, hepatic function, and hemodynamics following Fontan-type operations.
2001 Jan
Comparison of the efficacy and tolerability of fluvastatin extended-release and immediate-release formulations in the treatment of primary hypercholesterolemia: a randomized trial.
2001 Jan
Characterization of peptide substrates and viral enzyme that affect the cleavage site specificity of the human spumaretrovirus proteinase.
2001 Jan
Structure activity relationship of antiproliferative N-acyl-aspartic acid dimethyl ester. 2. Variation of the aspartyl moiety.
2001 Jan
Plasma ascorbate concentrations are not correlated with milk somatic cell count and metabolic profile in lactating and dry cows.
2001 Jan
Dietary cancer risk from conditional cancerogens (tumor promoters) in produce of livestock fed on species of spurge (Euphorbiaceae). IV. Toxicologic and pathophysiologic observations in lactating goats and their suckling kids fed on the irritant herbs Euphorbia nubica and Euphorbia helioscopia: an etiologic model for investigations on the putative risk of cancer by consumption of food p.
2001 Jan
Exercise improved accumulation of visceral fat and simultaneously impaired endothelium-dependent relaxation in old rats.
2001 Jan
Portal-Systemic shunts reduce asialoglycoprotein receptor density in rats.
2001 Jan
Chloroplast genetic engineering.
2001 Jan
The effect of cyclooxygenase-2 inhibitor FK3311 on ischemia-reperfusion injury in a canine total hepatic vascular exclusion model.
2001 Jan
Oxygen free radical generation in healthy blood donors and cardiac patients: the protective effect of allopurinol.
2001 Jan
Leukocyte filtration in the early reperfusion phase on cardiopulmonary bypass reduces myocardial injury.
2001 Jan
Elevation of hepatic transaminases after enoxaparin use: case report and review of unfractionated and low-molecular-weight heparin-induced hepatotoxicity.
2001 Jan
The effect of amino acid-modifying reagents on chloroplast protein import and the formation of early import intermediates.
2001 Jan
Ehlers-Danlos syndrome type IV with a unique point mutation in COL3A1 and familial phenotype of myocardial infarction without organic coronary stenosis.
2001 Jan
Effects of aflatoxin and carotenoids on growth performance and immune response in mule ducklings.
2001 Jan
Propylene glycol toxicosis in a llama.
2001 Jan 15
The effect of ketamine hydrochloride anesthesia on basal and N-methyl-D,L-aspartate induced plasma prolactin secretion in the adult male rhesus monkey.
2001 Jan 19
Three-dimensional structure of Erwinia chrysanthemi pectin methylesterase reveals a novel esterase active site.
2001 Jan 26
Characterization, amino acid sequence and evolution of edema-inducing, basic phospholipase A2 from Trimeresurus flavoviridis venom.
2001 Jul
Serum hyaluronic acid as an early prognostic marker in biliary atresia.
2001 Mar
Metabolic changes after cardiac surgery.
2001 Mar
Stress responses and changes in protein metabolism in carp Cyprinus carpio during cadmium exposure.
2001 Mar
Association between serum concentrations of hexachlorobenzene and polychlorobiphenyls with thyroid hormone and liver enzymes in a sample of the general population.
2001 Mar
Recruitment, activation and retention of caspases-9 and -3 by Apaf-1 apoptosome and associated XIAP complexes.
2001 Mar 1
In vivo evidence for accelerated generation of hydroxyl radicals in liver of Long-Evans Cinnamon (LEC) rats with acute hepatitis.
2001 Mar 1
Site-directed mutations in the mitochondrially encoded subunits I and III of yeast cytochrome oxidase.
2001 Mar 1
Differential effects of endomorphin-1 and -2 on amphetamine sensitization: neurochemical and behavioral aspects.
2001 Mar 1
Pathobiochemical mechanisms involved in the control of the disease caused by Trypanosoma congolense in African grey duiker (Sylvicapra grimmia).
2001 Mar 5
Patents

Sample Use Guides

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
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 Sat Dec 16 06:43:29 GMT 2023
Edited
by admin
on Sat Dec 16 06:43:29 GMT 2023
Record UNII
09U1335X8K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM DIASPARTATE TRIHYDRATE
Systematic 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
CALCIUM L-ASPARTATE HYDRATE
JAN  
Systematic Name English
Code System Code Type Description
EVMPD
SUB33471
Created by admin on Sat Dec 16 06:43:30 GMT 2023 , Edited by admin on Sat Dec 16 06:43:30 GMT 2023
PRIMARY
SMS_ID
100000127448
Created by admin on Sat Dec 16 06:43:30 GMT 2023 , Edited by admin on Sat Dec 16 06:43:30 GMT 2023
PRIMARY
ECHA (EC/EINECS)
244-185-8
Created by admin on Sat Dec 16 06:43:30 GMT 2023 , Edited by admin on Sat Dec 16 06:43:30 GMT 2023
PRIMARY
CAS
21059-46-1
Created by admin on Sat Dec 16 06:43:30 GMT 2023 , Edited by admin on Sat Dec 16 06:43:30 GMT 2023
ALTERNATIVE
PUBCHEM
23724805
Created by admin on Sat Dec 16 06:43:30 GMT 2023 , Edited by admin on Sat Dec 16 06:43:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID70209068
Created by admin on Sat Dec 16 06:43:30 GMT 2023 , Edited by admin on Sat Dec 16 06:43:30 GMT 2023
PRIMARY
CAS
603067-18-1
Created by admin on Sat Dec 16 06:43:30 GMT 2023 , Edited by admin on Sat Dec 16 06:43:30 GMT 2023
PRIMARY
FDA UNII
09U1335X8K
Created by admin on Sat Dec 16 06:43:30 GMT 2023 , Edited by admin on Sat Dec 16 06:43:30 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
ANHYDROUS->SOLVATE
Related Record Type Details
ACTIVE MOIETY