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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C5H7NO4.Ca.2H.4H2O
Molecular Weight 404.382
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM DIGLUTAMATE TETRAHYDRATE

SMILES

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

InChI

InChIKey=JEMRUFTULHBMAJ-GYDBBPQESA-L
InChI=1S/2C5H9NO4.Ca.4H2O/c2*6-3(5(9)10)1-2-4(7)8;;;;;/h2*3H,1-2,6H2,(H,7,8)(H,9,10);;4*1H2/q;;+2;;;;/p-2/t2*3-;;;;;/m00...../s1

HIDE SMILES / InChI
Molecular Formula C5H7NO4
Molecular Weight 145.1134
Charge -2
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED
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 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 H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: description was created based on several sources, including https://www.fda.gov/Food/IngredientsPackagingLabeling/GRAS/SCOGS/ucm260884.htm | http://www.webmd.com/drugs/2/drug-159847/calcium-phosphate-dibasic-oral/details

Anhydrous dibasic calcium phosphate is a calcium salt of phosphoric acid. It is used as a diluent in pharmaceutical industry, in some toothpastes as a polishing agent. Calcium phosphate is generally recognized as safe by FDA. Dibasic calcium phosphate is ised as a supplement to treat conditions associated with calcium deficit, such as bone loss (osteoporosis), weak bones (osteomalacia/rickets), decreased activity of the parathyroid gland (hypoparathyroidism), and a certain muscle disease (latent tetany)

Originator

Approval Year

1921
1467
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Not Provided
504
Unknown

Approved Use

Unknown
Palliative
Phase I
428
Unknown

Approved Use

Unknown
Palliative
Phase I
428
Unknown

Approved Use

Unknown
Primary
Approved
8429
Unknown

Approved Use

Hypocalcemia, chronic (treatment) — Oral calcium supplements provide a source of calcium ion for treating calcium depletion occurring in conditions such as chronic hypoparathyroidism, pseudohypoparathyroidism, osteomalacia, rickets, chronic renal failure, and hypocalcemia secondary to the administration of anticonvulsant medications. When chronic hypocalcemia is due to vitamin D deficiency, oral calcium salts may be administered concomitantly with vitamin D analogs. However, calcium phosphate should not be used in patients with hypoparathyroidism or renal failure, since phosphate levels may be too high and giving more phosphate would exacerbate the condition. Calcium supplements should not be used in hyperparathyroidism, unless the need for a calcium supplement is high and the patient is carefully monitored. For treatment of hypocalcemia, supplementation is preferred
PubMed

PubMed

TitleDatePubMed
Studies on the calcemic effect of intravenous secretin in humans.
1975 Jun
Cytosolic [Ca(2+)] modulates basal GLUT1 activity and plays a permissive role in its activation by metabolic stress and insulin in rat epithelial cells.
2000 Aug
Regulation of Na/K-ATPase beta1-subunit gene expression by ouabain and other hypertrophic stimuli in neonatal rat cardiac myocytes.
2000 Dec
Molecular cloning and characterization of a second human cysteinyl leukotriene receptor: discovery of a subtype selective agonist.
2000 Dec
D2 dopamine receptors in striatal medium spiny neurons reduce L-type Ca2+ currents and excitability via a novel PLC[beta]1-IP3-calcineurin-signaling cascade.
2000 Dec 15
Effects of a calcimimetic compound and naturally activating mutations on the human Ca2+ receptor and on Ca2+ receptor/metabotropic glutamate chimeric receptors.
2000 Nov
Inhibition of proteolysis by a cyclooxygenase inhibitor, indomethacin.
2000 Nov
High-calcium diet enhances vasorelaxation in nitric oxide-deficient hypertension.
2000 Sep
ATP induces dephosphorylation of myosin light chain in endothelial cells.
2000 Sep
Ca2+-induced contraction of cat esophageal circular smooth muscle cells.
2001 Apr
Expression and functional analysis of chemokine receptors in human peripheral blood leukocyte populations.
2001 Apr 7
Endothelin-induced changes of secondary messengers in cultured corneal endothelial cells.
2001 Aug
Metal ion-independent association of factor VIII subunits and the roles of calcium and copper ions for cofactor activity and inter-subunit affinity.
2001 Aug 28
Potent inhibition of NFAT activation and T cell cytokine production by novel low molecular weight pyrazole compounds.
2001 Dec 21
Complement activation in factor D-deficient mice.
2001 Dec 4
The transient receptor potential protein homologue TRP6 is the essential component of vascular alpha(1)-adrenoceptor-activated Ca(2+)-permeable cation channel.
2001 Feb 16
Functional expression and characterization of a voltage-gated CaV1.3 (alpha1D) calcium channel subunit from an insulin-secreting cell line.
2001 Jul
Analysis of the native quaternary structure of vanilloid receptor 1.
2001 Jul 27
Endothelin- and sarafotoxin-induced receptor-mediated calcium mobilization in a clonal murine osteoblast-like cell line, MC3T3-E1/B.
2001 Jun
Mechanisms of regulation of agonist efficacy at the 5-HT(1A) receptor by phospholipid-derived signaling components.
2001 Jun
[Acute renal failure caused by hypercalcemia].
2001 Jun 10
Cloning and characterization of a novel human histamine receptor.
2001 Mar
Activation of functional oxytocin receptors stimulates cell proliferation in human trophoblast and choriocarcinoma cell lines.
2001 Mar
Tight control of exogenous SERCA expression is required to obtain acceleration of calcium transients with minimal cytotoxic effects in cardiac myocytes.
2001 Mar 2
RGS4 inhibits platelet-activating factor receptor phosphorylation and cellular responses.
2001 Mar 27
Oxidative impairment in scrapie-infected mice is associated with brain metals perturbations and altered antioxidant activities.
2001 Nov
Regression of ventral striatum hypometabolism after calcium/calcitriol therapy in paroxysmal kinesigenic choreoathetosis due to idiopathic primary hypoparathyroidism.
2001 Nov
Molecular cloning and functional characterization of murine cysteinyl-leukotriene 1 (CysLT(1)) receptors.
2001 Nov 1
Hypoxia-induced regulation of MAPK phosphatase-1 as identified by subtractive suppression hybridization and cDNA microarray analysis.
2001 Nov 30
Molecular targets for cannabidiol and its synthetic analogues: effect on vanilloid VR1 receptors and on the cellular uptake and enzymatic hydrolysis of anandamide.
2001 Oct
Familial intrahepatic cholestasis 1: studies of localization and function.
2001 Oct
Microarray analysis of differential gene expression in lead-exposed astrocytes.
2001 Oct 1
Phosphoinositide 3-kinase isoforms selectively couple receptors to vascular L-type Ca(2+) channels.
2001 Oct 12
Replacement of the muscle-specific sarcoplasmic reticulum Ca(2+)-ATPase isoform SERCA2a by the nonmuscle SERCA2b homologue causes mild concentric hypertrophy and impairs contraction-relaxation of the heart.
2001 Oct 26
Regional differences in functional receptor distribution and calcium mobilization in the intact human lens.
2001 Sep
Effects of vitamin D receptor inactivation on the expression of calbindins and calcium metabolism.
2001 Sep
Cannabinoids attenuate depolarization-dependent Ca2+ influx in intermediate-size primary afferent neurons of adult rats.
2002
The role of endogenous human Trp4 in regulating carbachol-induced calcium oscillations in HEK-293 cells.
2002 Apr 19
Interaction of intravenous anesthetics with recombinant human M1-M3 muscarinic receptors expressed in chinese hamster ovary cells.
2002 Dec
CXCR4 expression on monocytes is up-regulated by dexamethasone and is modulated by autologous CD3+ T cells.
2002 Feb
Mediation of unusually high concentrations of 1,25-dihydroxyvitamin D in homozygous klotho mutant mice by increased expression of renal 1alpha-hydroxylase gene.
2002 Feb
Characterization of basolateral K+ channels underlying anion secretion in the human airway cell line Calu-3.
2002 Feb 1
Prostaglandin E(2) protects intestinal tumors from nonsteroidal anti-inflammatory drug-induced regression in Apc(Min/+) mice.
2002 Jan 15
Characterization of the bone-resorptive effect of interleukin-11 in cultured mouse calvarial bones.
2002 Jul
Transcriptional induction of CYP1A1 by oltipraz in human Caco-2 cells is aryl hydrocarbon receptor- and calcium-dependent.
2002 Jul 5
Expression of functional CCR and CXCR chemokine receptors in podocytes.
2002 Jun 15
Diacylglycerol activates the influx of extracellular cations in T-lymphocytes independently of intracellular calcium-store depletion and possibly involving endogenous TRP6 gene products.
2002 May 15
Neuronal apoptosis inhibitory protein: Structural requirements for hippocalcin binding and effects on survival of NGF-dependent sympathetic neurons.
2002 Nov 4
Effects of endothelin B receptor agonists on amyloid beta protein (25-35)-induced neuronal cell death.
2002 Sep 6
Mechanism of enhanced calcium sensitivity and alpha 2-AR vasoreactivity in chronic NOS inhibition hypertension.
2003 Jan
Patents

Patents

03966773
137
03974176
93
03981818
91
04008309
69
04028407
67
04041173
67
04042702
91
04058507
67
04063023
67
06485737
67
06497902
67
08637538
67
20090030026
67
20130174651
67
JP2017071731
67
US2143359
67

Sample Use Guides

In Vivo Use Guide
oral: 500 to 2000 mg elemental calcium a day, in divided doses (bid-qid). inhalation: In a single-blind, phase 1B proof of concept study, 24 subjects were enrolled to sequentially receive three doses of PUR118 (calcium lactate inhalation powder (CLIP) formulation) (5.5 mg, n = 18; 11.0 mg, n = 18; 2.8 mg, n = 16). Each dose was inhaled 3 times (1, 13, 25 h, preceded by 2 puffs salbutamol) before the ozone exposure (250 ppb, 3 h intermittent exercise). Sputum was induced 3 h after the end of exposure.
Route of Administration: Other
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:23:02 GMT 2023
Edited
by admin
on Sat Dec 16 08:23:02 GMT 2023
Record UNII
IPW75840KB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM DIGLUTAMATE TETRAHYDRATE
Systematic Name English
L-GLUTAMIC ACID, CALCIUM SALT (2:1), TETRAHYDRATE
Common Name English
CALCIUM DI-L-GLUTAMATE TETRAHYDRATE
Systematic Name English
Code System Code Type Description
PUBCHEM
71310219
Created by admin on Sat Dec 16 08:23:02 GMT 2023 , Edited by admin on Sat Dec 16 08:23:02 GMT 2023
PRIMARY
FDA UNII
IPW75840KB
Created by admin on Sat Dec 16 08:23:02 GMT 2023 , Edited by admin on Sat Dec 16 08:23:02 GMT 2023
PRIMARY
CAS
69704-19-4
Created by admin on Sat Dec 16 08:23:02 GMT 2023 , Edited by admin on Sat Dec 16 08:23:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID20219995
Created by admin on Sat Dec 16 08:23:02 GMT 2023 , Edited by admin on Sat Dec 16 08:23:02 GMT 2023
PRIMARY
Related Record Type Details
Structure of CALCIUM DIGLUTAMATE
ANHYDROUS->SOLVATE
Related Record Type Details
Structure of CALCIUM CATION
ACTIVE MOIETY
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