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Details

Stereochemistry ACHIRAL
Molecular Formula C16H26N5O8.Ca.Na
Molecular Weight 479.474
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALDIAMIDE SODIUM ANHYDROUS

SMILES

[Na+].[Ca++].CNC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)NC)CC([O-])=O)CC([O-])=O

InChI

InChIKey=YOVKQJBQALQTMU-UHFFFAOYSA-K
InChI=1S/C16H29N5O8.Ca.Na/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);;/q;+2;+1/p-3

HIDE SMILES / InChI

Molecular Formula C16H26N5O8
Molecular Weight 416.4063
Charge -3
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 Na
Molecular Weight 22.9898
Charge 1
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)

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
Palliative
Unknown

Approved Use

Unknown
Palliative
Unknown

Approved Use

Unknown
Primary
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
[Early stage of cardiomyopathy: mechanisms of damage and compensation].
1999 Jul
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
alpha(1E) subunits form the pore of three cerebellar R-type calcium channels with different pharmacological and permeation properties.
2000 Jan 1
Hepatocyte growth factor disrupts cell contact and stimulates an increase in type 3 inositol triphosphate receptor expression, intracellular calcium levels, and apoptosis of rat ovarian surface epithelial cells.
2000 Jun
A family of gamma-like calcium channel subunits.
2000 Mar 24
Dual regulation of leptin secretion: intracellular energy and calcium dependence of regulated pathway.
2000 May
Inhibition of proteolysis by a cyclooxygenase inhibitor, indomethacin.
2000 Nov
Pharmacological blockade of ERG K(+) channels and Ca(2+) influx through store-operated channels exerts opposite effects on intracellular Ca(2+) oscillations in pituitary GH(3) cells.
2000 Nov
Calmodulin kinases II and IV and calcineurin are involved in leukemia inhibitory factor-induced cardiac hypertrophy in rats.
2000 Nov 10
High-calcium diet enhances vasorelaxation in nitric oxide-deficient hypertension.
2000 Sep
Characterization of the human cysteinyl leukotriene 2 receptor.
2000 Sep 29
Ca2+-induced contraction of cat esophageal circular smooth muscle cells.
2001 Apr
Dantrolene inhibition of ryanodine receptor Ca2+ release channels. Molecular mechanism and isoform selectivity.
2001 Apr 27
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
Molecular and functional characterization of a family of rat brain T-type calcium channels.
2001 Feb 9
Extracellular calcium-sensing receptor is expressed in rat hepatocytes. coupling to intracellular calcium mobilization and stimulation of bile flow.
2001 Feb 9
Functional expression and characterization of a voltage-gated CaV1.3 (alpha1D) calcium channel subunit from an insulin-secreting cell line.
2001 Jul
Aluminum toxicity alters the regulation of calbindin-D28k protein and mRNA expression in chick intestine.
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
Long-term alteration of calcium homeostatic mechanisms in the pilocarpine model of temporal lobe epilepsy.
2001 Jun 8
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
Histamine induces exocytosis and IL-6 production from human lung macrophages through interaction with H1 receptors.
2001 Mar 15
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
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
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
Heterologous expression of the Na(+),K(+)-ATPase gamma subunit in Xenopus oocytes induces an endogenous, voltage-gated large diameter pore.
2001 Sep 1
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
Characterization of basolateral K+ channels underlying anion secretion in the human airway cell line Calu-3.
2002 Feb 1
Human kidney diamine oxidase: heterologous expression, purification, and characterization.
2002 Jun
Hypertension-related intermyocyte junction remodelling is associated with a higher incidence of low-K(+)-induced lethal arrhythmias in isolated rat heart.
2002 Mar
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
Molecular cloning and characterization of the human voltage-gated calcium channel alpha(2)delta-4 subunit.
2002 Sep
Effects of endothelin B receptor agonists on amyloid beta protein (25-35)-induced neuronal cell death.
2002 Sep 6
A critical interplay between Ca2+ inhibition and activation by Mg2+ of AC5 revealed by mutants and chimeric constructs.
2002 Sep 6
Mechanism of enhanced calcium sensitivity and alpha 2-AR vasoreactivity in chronic NOS inhibition hypertension.
2003 Jan
Patents

Sample Use Guides

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 06:35:57 GMT 2023
Edited
by admin
on Sat Dec 16 06:35:57 GMT 2023
Record UNII
9G03615Q60
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALDIAMIDE SODIUM ANHYDROUS
Common Name English
SODIUM (N,N-BIS(2-((CARBOXYMETHYL)(METHYLCARBAMOYL)METHYL)AMINO)ETHYL)GLYCINATO(3-))CALCIATE(1-)
Common Name English
CALCIATE(1-), (5,8-BIS(CARBOXYMETHYL)-11-(2-(METHYLAMINO)-2-OXOETHYL)-3-OXO-2,5,8,11-TETRAAZATRIDECAN-13-OATO(3-))-, SODIUM
Common Name English
Code System Code Type Description
FDA UNII
9G03615Q60
Created by admin on Sat Dec 16 06:35:58 GMT 2023 , Edited by admin on Sat Dec 16 06:35:58 GMT 2023
PRIMARY
CAS
131410-50-9
Created by admin on Sat Dec 16 06:35:58 GMT 2023 , Edited by admin on Sat Dec 16 06:35:58 GMT 2023
PRIMARY
PUBCHEM
164319
Created by admin on Sat Dec 16 06:35:58 GMT 2023 , Edited by admin on Sat Dec 16 06:35:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID50157033
Created by admin on Sat Dec 16 06:35:58 GMT 2023 , Edited by admin on Sat Dec 16 06:35:58 GMT 2023
PRIMARY
SMS_ID
100000129772
Created by admin on Sat Dec 16 06:35:58 GMT 2023 , Edited by admin on Sat Dec 16 06:35:58 GMT 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
Related Record Type Details
ACTIVE MOIETY