U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula 2C4H5NO4.Mg.2H
Molecular Weight 288.4945
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MAGNESIUM ASPARTATE ANHYDROUS

SMILES

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

InChI

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

HIDE SMILES / InChI
Molecular Formula Mg
Molecular Weight 24.305
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
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 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
Sources: http://www.internationalcrystal.net/optics_11.htm | https://www.ncbi.nlm.nih.gov/pubmed/27792982 | https://www.ncbi.nlm.nih.gov/pubmed/26952467 | https://www.ncbi.nlm.nih.gov/pubmed/27995243https://www.scbt.com/scbt/product/magnesium-nitrate-hexahydrate-13446-18-9 | https://www.ncbi.nlm.nih.gov/pubmed/18964415 | https://www.ncbi.nlm.nih.gov/pubmed/2843308http://www.db-pharma.com/anglais/49.pdfhttp://www.sciencedirect.com/science/article/pii/004484868990080Xhttps://www.accessdata.fda.gov/drugsatfda_docs/label/2013/020309s028lbl.pdfhttps://hazmap.nlm.nih.gov/category-details?table=copytblagents&id=1640DOI: 10.2903/j.efsa.2008.883http://onlinelibrary.wiley.com/doi/10.2903/j.efsa.2013.3444/pdfdoi: 10.1081/SCC-120022479https://www.xymogen.com/assets/imageDisplay.ashx?productID=111&attachmentTypeID=1https://www.drugs.com/ppa/magnesium-chloride.htmlhttps://www.ncbi.nlm.nih.gov/pubmed/15480451 | https://www.scbt.com/scbt/product/magnesium-iodide-10377-58-9https://www.drugs.com/dosage/magnesium-lactate.htmlhttp://dx.doi.org/10.1155/2015/498932 | http://iicbe.org/upload/4152C514072.pdfhttps://www.ncbi.nlm.nih.gov/pubmed/351265
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/9873215 | http://discovery.ucl.ac.uk/1336882/1/1336882.pdf

Struvite, a crystalline substance first identified in the 18th century, is composed of magnesium ammonium phosphate. Struvite urinary stones are also known as ‘infection stones’, and account for 15%-20% of all urinary stones. Bacterial urease, usually from a Proteus species, is responsible for the chemical changes in urine which result in struvite formation.

CNS Activity

Originator

Ulex, G.L.
66
Curator's Comment: Ulex, a Swedish geologist, is generally credited with introduction of the term struvite in1845

Approval Year

1921
1467
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8297
Modulator
828
Modulator
828
Modulator
828
Modulator
828
Interacts
323
Protein S100-A8
66
Target ID: P05109
Gene ID: 6279.0
Gene Symbol: S100A8
Target Organism: Homo sapiens (Human)
Binding Agent
1064
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Basic research
Unknown

Approved Use

Unknown
Primary
Preclinical
Unknown

Approved Use

Unknown
Primary
Preclinical
Unknown

Approved Use

Unknown
Preventing
Approved
8429
MAGNESIUM SULFATE

Approved Use

INDICATIONS AND USAGE Magnesium Sulfate in Water for Injection is indicated for the prevention and control of seizures in preeclampsia and eclampsia, respectively. When used judiciously it effectively prevents and controls the convulsions of eclampsia without producing deleterious depression of the central nervous system of the mother or infant. However, other effective drugs are available for this purpose.

Launch Date

7.9038723E11
Primary
Approved
8429
MAGNESIUM SULFATE

Approved Use

INDICATIONS AND USAGE Magnesium Sulfate in Water for Injection is indicated for the prevention and control of seizures in preeclampsia and eclampsia, respectively. When used judiciously it effectively prevents and controls the convulsions of eclampsia without producing deleterious depression of the central nervous system of the mother or infant. However, other effective drugs are available for this purpose.

Launch Date

7.9038723E11
Diagnostic
Approved
8429
ColPrep Kit

Approved Use

INDICATIONS AND USAGE ColPrep Kit is indicated for cleansing of the colon as a preparation for colonoscopy in adults

Launch Date

1.48279683E12
Primary
Phase III
656
MAGNESIUM SULFATE

Approved Use

INDICATIONS AND USAGE Magnesium Sulfate in Water for Injection is indicated for the prevention and control of seizures in preeclampsia and eclampsia, respectively. When used judiciously it effectively prevents and controls the convulsions of eclampsia without producing deleterious depression of the central nervous system of the mother or infant. However, other effective drugs are available for this purpose.

Launch Date

7.9038723E11
Curative
Approved
8429
MagMin

Approved Use

Magnesium aspartate (MagMin) is indicated for patients with documented hypomagnesaemia.
Curative
Not Provided
504
DELBIASE

Approved Use

Unknown
Primary
Not Provided
504
DELBIASE

Approved Use

Unknown
Primary
Not Provided
504
DELBIASE

Approved Use

Unknown
Curative
Approved
8429
Magnesium Chloride

Approved Use

Magnesium Chloride injection is indicated as an electrolyte replenisher in magnesium deficiencies
Palliative
Phase II
1132
Magnesium Chloride

Approved Use

Unknown
Palliative
Phase III
656
Magnesium Chloride

Approved Use

Unknown
Primary
Approved
8429
EPIMAG

Approved Use

Magnesium citrate is indicated in cases of oxaluria, to prevent recurrence of calcium oxalate kidney stones.
Primary
Approved
8429
EPIMAG

Approved Use

Used to relief of occasional constipation (irregularity).
Curative
Approved
8429
Magnesium Citrate

Approved Use

Magnesium citrate is indicated to supports magnesium nutritional adequacy.
Curative
Approved
8429
Unknown

Approved Use

Magnesium lactate is a naturally occurring mineral that is needed in the body to support the function of the heart, nervous system, and digestive system. Magnesium lactate is used as a mineral supplement to treat magnesium deficiency.
PubMed

PubMed

TitleDatePubMed
Effects of manganese, calcium, magnesium and lithium on the ouabain-induced seizure.
1977
Evidence for separate peptide sequences related to the lipolytic and magnesium-accumulating activities of ACTH. Analogy with adrenergic receptors.
1977 Apr
Serum calcium and magnesium levels in schizophrenia. II. Possible relationship to extrapyramidal symptoms.
1979 Nov
Characterization of the prolactin receptor in human prostate.
1983 Nov
Symptomatic hypercalcaemia precipitated by magnesium therapy.
1985 Jan
Regulation of membrane histamine H1-receptor binding sites by guanine nucleotides, mono- and divalent cations.
1986 Apr
Metal: ATP characteristics of insulin- and epidermal growth factor-stimulated phosphorylation in detergent extracts of rat liver plasma membranes.
1986 Sep
Decreased intracellular free magnesium in erythrocytes of spontaneously hypertensive rats.
1987 Mar 30
Characterization of the ATPase activity of the Mr 170,000 to 180,000 membrane glycoprotein (P-glycoprotein) associated with multidrug resistance in K562/ADM cells.
1988 Sep 1
Effect of magnesium diet in gentamicin-induced acute renal failure in rats.
1989
[Arrhythmogenic effect of flecainide--treatment with i.v. magnesium].
1989 Sep
Cocaine-induced cerebral vascular damage can be ameliorated by Mg2+ in rat brain.
1990 Feb 5
Role of magnesium in cardiac tachyarrhythmias.
1990 Jun 19
Modulation of mu, delta and kappa opioid receptors in rat brain by metal ions and histidine.
1990 May
['Cardiac ballet' with and without amiodarone].
1993 Jan 13
Differential modulation of alpha 3 beta 2 and alpha 3 beta 4 neuronal nicotinic receptors expressed in Xenopus oocytes by flufenamic acid and niflumic acid.
1995 Mar
Familial hypomagnesemia--hypercalciuria and pseudotumor cerebri.
2001
Elevated levels of ferrimagnetic metals in foodchains supporting the Guam cluster of neurodegeneration: do metal nucleated crystal contaminants [corrected] evoke magnetic fields that initiate the progressive pathogenesis of neurodegeneration?
2004
Ablation of calcitonin/calcitonin gene-related peptide-alpha impairs fetal magnesium but not calcium homeostasis.
2004 Aug
Low maternal dietary intakes of iron, magnesium, and niacin are associated with spina bifida in the offspring.
2004 Jun
A novel cation-sensing mechanism in osteoblasts is a molecular target for strontium.
2004 May
In vitro application of endotoxin to thoracic aortas from magnesium-deficient rats enhances vascular hyporeactivity to phenylephrine.
2004 Oct
Prevention of succinylcholine-induced fasciculation and myalgia: a meta-analysis of randomized trials.
2005 Oct
Pretreatment with magnesium sulphate is associated with less succinylcholine-induced fasciculation and subsequent tracheal intubation-induced hemodynamic changes than precurarization with vecuronium during rapid sequence induction.
2006
Conformational changes in sarcoplasmic reticulum Ca(2+)-ATPase mutants: effect of mutations either at Ca(2+)-binding site II or at tryptophan 552 in the cytosolic domain.
2006 Apr 25
Further characterization of mammalian ceramide kinase: substrate delivery and (stereo)specificity, tissue distribution, and subcellular localization studies.
2006 Feb
Structure of pyrimidine 5'-nucleotidase type 1. Insight into mechanism of action and inhibition during lead poisoning.
2006 Jul 21
Activation and enzymatic characterization of recombinant human kallikrein 8.
2006 Jun
Uncompetitive inhibition of Xenopus laevis aldehyde dehydrogenase 1A1 by divalent cations.
2006 Mar
The expression of genes for transepithelial calcium-transporting proteins in the bovine duodenum.
2006 Mar
Kinetic properties of chimeric class I aldehyde dehydrogenases for retinal isomers.
2006 Oct
Multivariate analysis of the selected metals in the hair of cerebral palsy patients versus controls.
2006 Summer
Magnesium attenuates isoproterenol-induced acute cardiac dysfunction and beta-adrenergic desensitization.
2007 Mar
Cisplatin-induced hypomagnesemia and cardiac dysrhythmia.
2007 Nov
Characterization and distribution of the selected metals in the scalp hair of cancer patients in comparison with normal donors.
2007 Sep
[The characterization of central neuromediation in rats fed with magnesium-deprived diet before and after magnesium replenishment].
2008 Jul
Differential binding of inorganic particles to MARCO.
2009 Jan
The loop connecting metal-binding domains 3 and 4 of ATP7B is a target of a kinase-mediated phosphorylation.
2009 Jun 23
Evidence that TRPM7 is required for breast cancer cell proliferation.
2009 Sep
Hair tissue mineral analysis and metabolic syndrome.
2009 Sep
Differential effects of divalent manganese and magnesium on the kinase activity of leucine-rich repeat kinase 2 (LRRK2).
2010 Apr 13
Involvement of transient receptor potential melastatin-related 7 (TRPM7) channels in cadmium uptake and cytotoxicity in MC3T3-E1 osteoblasts.
2010 Dec 15
Carcinogenic heavy metals replace Ca2+ for DNA binding and annealing activities of mono-ubiquitinated annexin A1 homodimer.
2010 Oct 1
Metals affect the structure and activity of human plasminogen activator inhibitor-1. II. Binding affinity and conformational changes.
2011 Feb
Metals affect the structure and activity of human plasminogen activator inhibitor-1. I. Modulation of stability and protease inhibition.
2011 Feb
Mechanically enforced bond dissociation reports synergistic influence of Mn2+ and Mg2+ on the interaction between integrin α7β1 and invasin.
2011 Jul-Aug
Hypoxia induces an increase in intracellular magnesium via transient receptor potential melastatin 7 (TRPM7) channels in rat hippocampal neurons in vitro.
2011 Jun 10
NADH fluorescence lifetime analysis of the effect of magnesium ions on ALDH2.
2011 May 30
Increased zinc and manganese in parallel with neurodegeneration, synaptic protein changes and activation of Akt/GSK3 signaling in ovine CLN6 neuronal ceroid lipofuscinosis.
2013
Warfarin accelerates ectopic mineralization in Abcc6(-/-) mice: clinical relevance to pseudoxanthoma elasticum.
2013 Apr
Patents

Patents

03931199
72
03931205
82
03931302
69
03932463
70
03932472
94
03932479
112
03932483
74
03932524
68
03933824
70
03935253
66
03935271
69
03936470
98
03939091
68
03944589
66
03950406
119
03950427
70
03950525
67
03957788
66
03960906
66
03960907
67
03961066
66
03963724
66
03965143
66
03966648
67
03966773
137
03968231
67
03969368
66
03969384
66
03973022
77
03973030
67
03978121
80
03978129
66
03978130
66
03980795
66
03981917
80
03982001
66
03983164
67
03985729
66
03985817
66
03987009
96
03987091
67
03988205
66
03989724
72
03989749
68
03989841
66
03991106
66
03993773
66
03994961
66
03995054
67
03995056
70
03998834
70
04005147
106
04045433
67
04059595
66
04088772
67
04144333
66
04156786
66
04289816
66
04341767
67
04454357
66
04471070
66
04540815
66
04546195
66
04569941
66
04577011
67
04585885
67
04599341
66
04661260
68
04725688
68
04734420
73
04916235
70
04935430
66
04990319
66
05012019
66
05177240
66
05206229
66
05275950
67
05326548
66
05389640
67
05451591
67
05633237
66
05658908
68
05719148
82
05786353
67
05859290
66
05929067
67
06017928
73
06040331
66
06051712
73
06100275
67
06150526
72
06156767
66
06274737
68
06380218
73
06540905
67
06613708
66
06812355
66
07230017
69
07402595
70
07445915
66
07557213
67
07601736
66
07691842
69
08236943
66
08383835
66
20050130276
66
20060100207
66
20100267970
66
CN106582743
66
DE1110825
66
EP1810974A1
66
EP2259773A1
66
EP2708510A1
66
EP2714042A1
66
US1913539
66
US20060083725
66
US20140076804
66
US2034070
66
US2260004
66
US2877095
66
US3030184
66
US3320048
66
US3377271
66
US3429777
66
US3476510
66
US3760050
66
US3994859
66
US4111835
66
US4535183
66
US4748283
66
US4959222
66
US7182872
66
US7608239
66
US9334166
66
WO2000050046A1
66
WO2005123647A1
68

Sample Use Guides

In Vivo Use Guide
Curator's Comment: Rats: MgF2 dissolved in acetic acid (Mg=0.08 mM, F=0.084 mM) was delivered in the aerosol form https://www.ncbi.nlm.nih.gov/pubmed/20647692
Murine osteomyelitis model: medical pure titanium plates in size of 10 mm × 10 mm × 1 mm were used for the deposition of Magnesium Fluoride (MgF2) film.
Route of Administration: Topical
In Vitro Use Guide
Curator's Comment: Magnesium Chloride
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 01:55:17 UTC 2023
Edited
by admin
on Sat Dec 16 01:55:17 UTC 2023
Record UNII
082H981FMA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MAGNESIUM ASPARTATE ANHYDROUS
Common Name English
Magnesium aspartate [WHO-DD]
Common Name English
MAGNESIUM L-ASPARTATE
JAN  
Systematic Name English
L-ASPARTIC ACID, MAGNESIUM SALT (2:1)
Common Name English
MAGNESIUM DIASPARTATE
Systematic Name English
(+)-MAGNESIUM ASPARTATE ANHYDROUS
Common Name English
CARDIOPLEGIN COMPONENT MAGNESIUM ASPARTATE ANHYDROUS
Common Name English
MAGNESIUM L-ASPARTATE [JAN]
Common Name English
MAGNESIUM HYDROGEN ASPARTATE
WHO-DD  
Systematic Name English
MAGNESIUM HYDROASPARTATE
Common Name English
MAGNESATE(2-), BIS(L-ASPARTATO(2-)-.KAPPA.N,.KAPPA.O1)-, HYDROGEN (1:2), (T-4)-
Systematic Name English
ASPARTIC ACID, MAGNESIUM SALT (2:1), L-
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
218-191-6
Created by admin on Sat Dec 16 01:55:17 UTC 2023 , Edited by admin on Sat Dec 16 01:55:17 UTC 2023
ALTERNATIVE
CAS
18962-61-3
Created by admin on Sat Dec 16 01:55:17 UTC 2023 , Edited by admin on Sat Dec 16 01:55:17 UTC 2023
PRIMARY
SMS_ID
100000076817
Created by admin on Sat Dec 16 01:55:18 UTC 2023 , Edited by admin on Sat Dec 16 01:55:18 UTC 2023
PRIMARY
EPA CompTox
DTXSID10273965
Created by admin on Sat Dec 16 01:55:17 UTC 2023 , Edited by admin on Sat Dec 16 01:55:17 UTC 2023
PRIMARY
DAILYMED
082H981FMA
Created by admin on Sat Dec 16 01:55:17 UTC 2023 , Edited by admin on Sat Dec 16 01:55:17 UTC 2023
PRIMARY
ECHA (EC/EINECS)
242-703-7
Created by admin on Sat Dec 16 01:55:17 UTC 2023 , Edited by admin on Sat Dec 16 01:55:17 UTC 2023
PRIMARY
CAS
2068-80-6
Created by admin on Sat Dec 16 01:55:17 UTC 2023 , Edited by admin on Sat Dec 16 01:55:17 UTC 2023
ALTERNATIVE
PUBCHEM
87869
Created by admin on Sat Dec 16 01:55:18 UTC 2023 , Edited by admin on Sat Dec 16 01:55:18 UTC 2023
PRIMARY
EVMPD
SUB14415MIG
Created by admin on Sat Dec 16 01:55:17 UTC 2023 , Edited by admin on Sat Dec 16 01:55:17 UTC 2023
PRIMARY
FDA UNII
082H981FMA
Created by admin on Sat Dec 16 01:55:17 UTC 2023 , Edited by admin on Sat Dec 16 01:55:17 UTC 2023
PRIMARY
RXCUI
1792467
Created by admin on Sat Dec 16 01:55:18 UTC 2023 , Edited by admin on Sat Dec 16 01:55:18 UTC 2023
PRIMARY
Related Record Type Details
Structure of ASPARTIC ACID
PARENT -> SALT/SOLVATE
Structure of MAGNESIUM ASPARTATE
SOLVATE->ANHYDROUS
Structure of MAGNESIUM ASPARTATE DIHYDRATE
SOLVATE->ANHYDROUS
Related Record Type Details
Structure of MAGNESIUM CATION
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