Magnesium sulfate

Identification

Summary

Magnesium sulfate is a drug used to treat convulsions during pregnancy, nephritis in children, magnesium deficiency, and tetany.

Brand Names
Concept Ob, Suflave, Suprep Bowel Prep Kit, Tis-U-sol
Generic Name
Magnesium sulfate
DrugBank Accession Number
DB00653
Background

A small colorless crystal used as an anticonvulsant, a cathartic, and an electrolyte replenisher in the treatment of pre-eclampsia and eclampsia. It causes direct inhibition of action potentials in myometrial muscle cells. Excitation and contraction are uncoupled, which decreases the frequency and force of contractions. (From AMA Drug Evaluations Annual, 1992, p1083)

Type
Small Molecule
Groups
Approved, Investigational, Vet approved
Structure
Weight
Average: 120.368
Monoisotopic: 119.936771076
Chemical Formula
MgO4S
Synonyms
  • Magnesium sulfate (1:1)
  • Magnesium sulfate anhydrous
  • Magnesium sulphate
  • magnesium(II) sulfate
  • Magnesiumsulfat
  • MgSO4

Pharmacology

Indication

Used for immediate control of life-threatening convulsions in the treatment of severe toxemias (pre-eclampsia and eclampsia) of pregnancy and in the treatment of acute nephritis in children. Also indicated for replacement therapy in magnesium deficiency, especially in acute hypomagnesemia accompanied by signs of tetany similar to those of hypocalcemia. Also used in uterine tetany as a myometriat relaxant.

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Symptomatic treatment ofConstipation••• •••
Management ofConvulsions•••••••••••••••••••••• •••••••••• ••••••••
Prophylaxis ofConvulsions•••••••••••••••••••••• •••••••••• ••••••••
Management ofConvulsions•••••••••••••••••••••• •••••••••• ••••••••
Treatment ofHypomagnesemia•••••••••••••••••••••• •••••••••• ••••••••
Associated Therapies
Contraindications & Blackbox Warnings
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Pharmacodynamics

Magnesium sulfate is a small colorless crystal used as an anticonvulsant, a cathartic, and an electrolyte replenisher in the treatment of pre-eclampsia and eclampsia. It causes direct inhibition of action potentials in myometrial muscle cells. Excitation and contraction are uncoupled, which decreases the frequency and force of contractions. Magnesium sulfate is gaining popularity as an initial treatment in the management of various dysrhythmias, particularly torsades de pointes, and dyrhythmias secondary to TCA overdose or digitalis toxicity.

Mechanism of action

Magnesium is the second most plentiful cation of the intracellular fluids. It is essential for the activity of many enzyme systems and plays an important role with regard to neurochemical transmission and muscular excitability. Magnesium sulfate reduces striated muscle contractions and blocks peripheral neuromuscular transmission by reducing acetylcholine release at the myoneural junction. Additionally, Magnesium inhibits Ca2+ influx through dihydropyridine-sensitive, voltage-dependent channels. This accounts for much of its relaxant action on vascular smooth muscle.

TargetActionsOrganism
AVoltage-dependent L-type calcium channel
inhibitor
blocker
Humans
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

25-30%

Metabolism

None

Route of elimination

Magnesium is excreted solely by the kidney at a rate proportional to the serum concentration and glomerular filtration.

Half-life

43.2 hours (for newborns)

Clearance

Not Available

Adverse Effects
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Toxicity

LD50 = 1200 mg/kg (rat, subcutaneous). May be harmful if swallowed. May act as an irritant. Adverse reactions include hypotension, ECG changes, diarrhea, urinary retention, CNS depression and respiratory depression.

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
1,2-BenzodiazepineThe therapeutic efficacy of 1,2-Benzodiazepine can be increased when used in combination with Magnesium sulfate.
AcarboseThe risk or severity of hypoglycemia can be increased when Magnesium sulfate is combined with Acarbose.
AcebutololMagnesium sulfate may increase the arrhythmogenic activities of Acebutolol.
AceclofenacThe risk or severity of hyperkalemia can be increased when Magnesium sulfate is combined with Aceclofenac.
AcemetacinThe risk or severity of hyperkalemia can be increased when Magnesium sulfate is combined with Acemetacin.
Food Interactions
No interactions found.

Products

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Product Ingredients
IngredientUNIICASInChI Key
Magnesium sulfate dihydrate10NKG94IWF17830-05-6QSOMFNQEXNFPNU-UHFFFAOYSA-L
Magnesium sulfate heptahydrateSK47B8698T10034-99-8WRUGWIBCXHJTDG-UHFFFAOYSA-L
Magnesium sulfate monohydrateE2L2TK027P14168-73-1LFCFXZHKDRJMNS-UHFFFAOYSA-L
Active Moieties
NameKindUNIICASInChI Key
Magnesium cationionicT6V3LHY83822537-22-0JLVVSXFLKOJNIY-UHFFFAOYSA-N
MagnesiumunknownI38ZP9992A7439-95-4RSHAOIXHUHAZPM-UHFFFAOYSA-N
Sulfate ionionic7IS9N8KPMG14808-79-8QAOWNCQODCNURD-UHFFFAOYSA-L
Brand Name Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
Magnesium SulfateInjection, solution500 mg/1mLIntramuscular; IntravenousHF Acquisition Co LLC, DBA HealthFirst2019-12-11Not applicableUS flag
Magnesium SulfateInjection, solution500 mg/1mLIntramuscular; IntravenousHenry Schein, Inc.2022-01-12Not applicableUS flag
Magnesium SulfateInjection, solution500 mg/1mLIntramuscular; IntravenousMedical Purchasing Solutions, Llc2000-08-08Not applicableUS flag
Magnesium SulfateInjection, solution500 mg/1mLIntramuscular; IntravenousGeneral Injectables and Vaccines, Inc.2017-01-132024-02-29US flag
Magnesium SulfateInjection, solution500 mg/1mLIntramuscular; IntravenousHenry Schein, Inc.2022-01-18Not applicableUS flag
Generic Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
50% Magnesium SulfateInjection, solution500 mg/1mLIntramuscular; IntravenousHf Acquisition Co. Llc, Dba Health First2018-08-25Not applicableUS flag
Magnesium SulfateInjection, solution500 mg/1mLIntramuscular; IntravenousHospira, Inc.2006-11-28Not applicableUS flag
Magnesium SulfateInjection, solution2 g/50mLIntravenousMylan Institutional LLC2020-10-02Not applicableUS flag
Magnesium SulfateInjection, solution2 g/50mLIntravenousGland Pharma Limited2020-07-10Not applicableUS flag
Magnesium SulfateInjection, solution40 mg/1mLIntravenousSun Pharmaceutical Industries, Inc.2021-08-01Not applicableUS flag
Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
Assured Epsom SaltGranule100 g/100gOralHefei Yatai Daily Chemical Products Co., Ltd.2016-03-30Not applicableUS flag
Assured Epsom SaltGranule100 g/100gOralGreenbrier International, Inc.2016-06-14Not applicableUS flag
Daily Care Epsom SaltGranule100 g/100gOral1 Source Trading LLC2021-06-03Not applicableUS flag
DBL Magnesium Sulfate Concentrated Injection 49.3%Injection2.47 g/5mlIntramuscular; IntravenousPFIZER PRIVATE LIMITED1991-05-21Not applicableSingapore flag
EpsalOintment400 mg/1gTopicalPress Chemical And Pharmaceutical Laboratories1957-01-15Not applicableUS flag
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Aminomix peripher InfusionslösungMagnesium sulfate heptahydrate (0.78 g/L) + Alanine (4.9 g/L) + Arginine (4.2 g/L) + Calcium chloride dihydrate (0.24 g/L) + D-glucose monohydrate (69.3 g/L) + Glycine (3.85 g/L) + Histidine (1.05 g/L) + Isoleucine (1.75 g/L) + Leucine (2.59 g/L) + Lysine acetate (3.26 g/L) + Methionine (1.51 g/L) + Phenylalanine (1.79 g/L) + Potassium chloride (1.41 g/L) + Proline (3.92 g/L) + Serine (2.28 g/L) + Sodium acetate trihydrate (1.16 g/L) + Sodium glycerophosphate hydrate (1.78 g/L) + Taurine (0.35 g/L) + Threonine (1.54 g/L) + Tryptophan (0.7 g/L) + Tyrosine (0.14 g/L) + Valine (2.17 g/L)SolutionIntravenousFresenius Kabi Austria Gmb H2016-07-07Not applicableAustria flag
ANTIBIL POLVOMagnesium sulfate (21.13 g) + Rhubarb (0.43 g) + Sennosides (0.44 g)Powder, for suspensionOralLABORATORIOS NEO LTDA2006-11-10Not applicableColombia flag
Aqua De Folli Hair BoosterMagnesium sulfate (0.00024 g/100mL) + Sodium bicarbonate (0.006 g/100mL) + Zinc sulfate, unspecified form (0.0000022 g/100mL)LiquidTopicalROKIT HEALTHCARE Inc.2020-09-24Not applicableUS flag
Aqua De Folli Hair Booster MiniMagnesium sulfate (0.00024 g/100mL) + Sodium bicarbonate (0.006 g/100mL) + Zinc sulfate, unspecified form (0.0000022 g/100mL)LiquidTopicalROKIT HEALTHCARE Inc.2020-09-24Not applicableUS flag
Aqua De Folli Hair Booster ProMagnesium sulfate (0.00024 g/100mL) + Sodium bicarbonate (0.006 g/100mL) + Zinc sulfate, unspecified form (0.0000022 g/100mL)LiquidTopicalROKIT HEALTHCARE Inc.2020-09-24Not applicableUS flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Aqua De Folli Hair BoosterMagnesium sulfate (0.00024 g/100mL) + Sodium bicarbonate (0.006 g/100mL) + Zinc sulfate, unspecified form (0.0000022 g/100mL)LiquidTopicalROKIT HEALTHCARE Inc.2020-09-24Not applicableUS flag
Aqua De Folli Hair Booster MiniMagnesium sulfate (0.00024 g/100mL) + Sodium bicarbonate (0.006 g/100mL) + Zinc sulfate, unspecified form (0.0000022 g/100mL)LiquidTopicalROKIT HEALTHCARE Inc.2020-09-24Not applicableUS flag
Aqua De Folli Hair Booster ProMagnesium sulfate (0.00024 g/100mL) + Sodium bicarbonate (0.006 g/100mL) + Zinc sulfate, unspecified form (0.0000022 g/100mL)LiquidTopicalROKIT HEALTHCARE Inc.2020-09-24Not applicableUS flag
CentratexMagnesium sulfate (6.9 mg/1) + Cupric sulfate (0.8 mg/1) + Cyanocobalamin (15 ug/1) + Folic acid (1 mg/1) + Iron (106 mg/1) + Manganese sulfate (1.3 mg/1) + Nicotinamide (30 mg/1) + Calcium pantothenate (10 mg/1) + Pyridoxine hydrochloride (5 mg/1) + Riboflavin (6 mg/1) + Sodium ascorbate (200 mg/1) + Thiamine mononitrate (10 mg/1) + Zinc sulfate, unspecified form (18.2 mg/1)CapsuleOralCenturion Labs, LLC2009-06-14Not applicableUS flag
Concept DHAMagnesium sulfate (5 mg/1) + Ascorbic acid (25 mg/1) + Biotin (300 ug/1) + Cupric sulfate pentahydrate (2 mg/1) + Cyanocobalamin (12.5 ug/1) + Ferrous fumarate (17.5 mg/1) + Folic acid (1 mg/1) + Iron (17.5 mg/1) + Niacin (1.8 mg/1) + Omega-3-acid ethyl esters (200 mg/1) + Calcium pantothenate (5 mg/1) + Pyridoxine hydrochloride (25 mg/1) + Riboflavin (3 mg/1) + Thiamine mononitrate (2 mg/1) + Zinc sulfate, unspecified form (10 mg/1)Capsule, liquid filledOralU.S. Pharmaceutical Corporation2009-06-24Not applicableUS flag

Categories

ATC Codes
A06AD04 — Magnesium sulfateV04CC02 — Magnesium sulfateD11AX05 — Magnesium sulfateB05XA05 — Magnesium sulfateA12CC02 — Magnesium sulfate
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of inorganic compounds known as alkaline earth metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is an alkaline earth metal.
Kingdom
Inorganic compounds
Super Class
Mixed metal/non-metal compounds
Class
Alkaline earth metal oxoanionic compounds
Sub Class
Alkaline earth metal sulfates
Direct Parent
Alkaline earth metal sulfates
Alternative Parents
Inorganic salts / Inorganic oxides
Substituents
Alkaline earth metal sulfate / Inorganic oxide / Inorganic salt
Molecular Framework
Not Available
External Descriptors
magnesium salt, metal sulfate (CHEBI:32599)
Affected organisms
  • Humans and other mammals

Chemical Identifiers

UNII
ML30MJ2U7I
CAS number
7487-88-9
InChI Key
CSNNHWWHGAXBCP-UHFFFAOYSA-L
InChI
InChI=1S/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
IUPAC Name
magnesium(2+) sulfate
SMILES
[Mg++].[O-]S([O-])(=O)=O

References

Synthesis Reference

Shinichi Yamamoto, Akifumi Sekitani, "BASIC MAGNESIUM SULFATE GRANULE, AND PROCESS FOR PRODUCTION THEREOF." U.S. Patent US20110042297, issued February 24, 2011.

US20110042297
General References
  1. Blitz M, Blitz S, Hughes R, Diner B, Beasley R, Knopp J, Rowe BH: Aerosolized magnesium sulfate for acute asthma: a systematic review. Chest. 2005 Jul;128(1):337-44. [Article]
  2. Yokoyama K, Takahashi N, Yada Y, Koike Y, Kawamata R, Uehara R, Kono Y, Honma Y, Momoi MY: Prolonged maternal magnesium administration and bone metabolism in neonates. Early Hum Dev. 2010 Mar;86(3):187-91. doi: 10.1016/j.earlhumdev.2010.02.007. Epub 2010 Mar 12. [Article]
  3. Wedig KE, Kogan J, Schorry EK, Whitsett JA: Skeletal demineralization and fractures caused by fetal magnesium toxicity. J Perinatol. 2006 Jun;26(6):371-4. [Article]
  4. Nassar AH, Sakhel K, Maarouf H, Naassan GR, Usta IM: Adverse maternal and neonatal outcome of prolonged course of magnesium sulfate tocolysis. Acta Obstet Gynecol Scand. 2006;85(9):1099-103. [Article]
  5. Malaeb SN, Rassi AI, Haddad MC, Seoud MA, Yunis KA: Bone mineralization in newborns whose mothers received magnesium sulphate for tocolysis of premature labour. Pediatr Radiol. 2004 May;34(5):384-6. Epub 2004 Feb 18. [Article]
  6. Matsuda Y, Maeda Y, Ito M, Sakamoto H, Masaoka N, Takada M, Sato K: Effect of magnesium sulfate treatment on neonatal bone abnormalities. Gynecol Obstet Invest. 1997;44(2):82-8. [Article]
  7. Schanler RJ, Smith LG Jr, Burns PA: Effects of long-term maternal intravenous magnesium sulfate therapy on neonatal calcium metabolism and bone mineral content. Gynecol Obstet Invest. 1997;43(4):236-41. [Article]
  8. Santi MD, Henry GW, Douglas GL: Magnesium sulfate treatment of preterm labor as a cause of abnormal neonatal bone mineralization. J Pediatr Orthop. 1994 Mar-Apr;14(2):249-53. [Article]
  9. Holcomb WL Jr, Shackelford GD, Petrie RH: Magnesium tocolysis and neonatal bone abnormalities: a controlled study. Obstet Gynecol. 1991 Oct;78(4):611-4. [Article]
  10. Cumming WA, Thomas VJ: Hypermagnesemia: a cause of abnormal metaphyses in the neonate. AJR Am J Roentgenol. 1989 May;152(5):1071-2. [Article]
  11. Lamm CI, Norton KI, Murphy RJ, Wilkins IA, Rabinowitz JG: Congenital rickets associated with magnesium sulfate infusion for tocolysis. J Pediatr. 1988 Dec;113(6):1078-82. [Article]
  12. McGuinness GA, Weinstein MM, Cruikshank DP, Pitkin RM: Effects of magnesium sulfate treatment on perinatal calcium metabolism. II. Neonatal responses. Obstet Gynecol. 1980 Nov;56(5):595-600. [Article]
  13. Riaz M, Porat R, Brodsky NL, Hurt H: The effects of maternal magnesium sulfate treatment on newborns: a prospective controlled study. J Perinatol. 1998 Nov-Dec;18(6 Pt 1):449-54. [Article]
Human Metabolome Database
HMDB0014791
KEGG Drug
D01108
PubChem Compound
24083
PubChem Substance
46508411
ChemSpider
22515
RxNav
1311625
ChEBI
32599
ChEMBL
CHEMBL2021423
Therapeutic Targets Database
DAP000201
PharmGKB
PA450302
RxList
RxList Drug Page
Drugs.com
Drugs.com Drug Page
Wikipedia
Magnesium_sulfate
MSDS
Download (72.1 KB)

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4Active Not RecruitingTreatmentAcute Pain / Coronary Artery Disease (CAD) / Postoperative pain / Valvular Heart Diseases1
4Active Not RecruitingTreatmentPostoperative pain1
4CompletedNot AvailableNeuromuscular Blockade1
4CompletedOtherCoarctation of the Aorta1
4CompletedOtherHemodynamic Stability1

Pharmacoeconomics

Manufacturers
  • Abraxis pharmaceutical products
  • Hospira inc
Packagers
  • Denison Pharmaceuticals Inc.
  • Gallipot
  • Hospira Inc.
  • Pharmakon
  • Pharmedium
  • QOL Medical
  • Spectrum Pharmaceuticals
  • Vi-Jon Laboratories Inc.
  • Walgreen Co.
Dosage Forms
FormRouteStrength
PowderOral
LiquidTopical
Powder, for suspensionOral
Powder, for solutionOral
Injection, solutionParenteral200 mg
Injection, solutionParenteral
SolutionParenteral1.00 g
InjectionIntramuscular; Intravenous2.47 g/5ml
CapsuleCutaneous; Oral
Capsule, liquid filledOral
Injection, solutionIntravenous
InjectionIntrathecal
LiquidOral
OintmentTopical400 mg/1g
CrystalOral; Topical1 g/1g
GranuleOral1 g/1g
GranuleOral100 kg/100kg
GranuleOral; Topical1 g/1g
GranuleOral; Topical1.81 kg/100kg
Granule, for solutionOral; Topical1 g/1g
Granule, for solutionOral; Topical100 g/100g
Powder, for solutionOral100 %
PowderTopical12 g/12g
GranuleTopical2.72 kg/2.72kg
GranuleOral; Topical100 g/100g
PowderOral100 %
PowderOral
Granule, for solutionOral1 g/1g
Powder, for solutionOral1000 mg/1g
Injection, solution, concentrateIntramuscular; Intravenous
EmulsionParenteral20.000 g
Injection, emulsionIntravenous
InjectionIntravenous
InjectionIntravenous1.6 g/l
Tablet, effervescentOral
SyrupOral
SolutionIntramuscular1.00 g
GranuleOral100 g/100g
SolutionParenteral0.200 g
Injection, solutionIntravenous
Injection, solution, concentrateIntravenous
Injection, solutionParenteral493 mg/5mL
Injection, solutionParenteral985.9 mg/2mL
InjectionIntravenous40 mg/1mL
Injection, solutionIntramuscular; Intravenous500 mg/1mL
Injection, solutionIntravenous2 g/50mL
Injection, solutionIntravenous20 g/500mL
Injection, solutionIntravenous20 g/250mL
Injection, solutionIntravenous4 g/50mL
Injection, solutionIntravenous4 g/100mL
Injection, solutionIntravenous40 mg/1mL
Injection, solutionIntravenous80 mg/1mL
LiquidTopical45 %
Injection, solutionIntravenous1 g/100mL
SolutionIntravenous
InjectionIntravenous1 g/100mL
Injection, solutionIntravenous10 mg/1mL
Injection, solutionIntravenous2 g/100mL
InjectionIntravenous2 g/50mL
InjectionIntravenous20 g/500mL
InjectionIntravenous4 g/100mL
InjectionIntravenous4 g/50mL
InjectionIntravenous40 g/1000mL
Injection, solutionIntravenous40 g/1000mL
SolutionIntravenous40 mg / mL
SolutionIntravenous80 mg / mL
LiquidIntramuscular500 mg / mL
LiquidIntramuscular; Intravenous500 mg / mL
LiquidIntramuscular; Intravenous200 mg / mL
SolutionIntramuscular; Intravenous500 mg / mL
SolutionIntravenous493 mg / mL
SolutionParenteral4929.5 mg/10mL
SolutionParenteral5000 mg/10mL
Injection, solutionParenteral100 mg/ml
Injection, solutionParenteral200 mg/ml
SolutionIntramuscular; Intravenous15 %
SolutionIntramuscular; Intravenous1.2 mEq/ml
SolutionIntravenous1.5 g
PowderOral26.000 g
Injection, solutionParenteral1 g/10ml
SolutionParenteral5 g/10ml
Granule, for solutionOral; Topical1 kg/1kg
LiquidIntravenous
PowderTopical10 g/10g
CrystalOral; Topical100 g/100g
InjectionIntravenous
For solutionTopical1 kg/1kg
GranuleOral3.63 kg/3.63kg
Granule, for solutionOral1 kg/1kg
EmulsionIntravenous
EmulsionIntravenous13.000 g
SolutionOral
EmulsionParenteral
KitOral
Kit; powder, for solutionOral
InjectionIntravenous2 g
SolutionIntravenous2 g
SolutionParenteral2 g
SolutionIntravenous2000 mg
Solution, concentrateOral
TabletOral
CapsuleOral
IrrigantIrrigation
SolutionIrrigation
LiquidIrrigation
Injection, solutionIntravenous1500 mg/10ml
Capsule, gelatin coatedOral
Suspension
Tablet, film coated
Solution100 mg/1ml
Solution500 mg/1ml
Prices
Unit descriptionCostUnit
Elliotts b solution ampule4.71USD ml
Magnesium Sulfate 50% Solution 2ml Vial0.92USD vial
Magnesium sulfate powder0.29USD g
Magnesium-ns 6 g/50 ml bag0.29USD ml
Magnesium-ns 4 g/50 ml bag0.27USD ml
Magnesium-ns 3 g/50 ml bag0.26USD ml
Magnesium sulfate-ns 2 gm bag0.25USD ml
Magnesium sulfate-ns 1 gm bag0.24USD ml
Magnesium-d5w 1 gm/100 ml soln0.07USD ml
Magnesium-lr 20 g/500 ml0.03USD ml
Magnesium-lr 40 g/500 ml bag0.03USD ml
Magnesium-lr 50 g/500 ml bag0.02USD ml
Epsom salt 100% powder0.01USD g
Magnesium sulf 4% iv soln0.01USD ml
DrugBank does not sell nor buy drugs. Pricing information is supplied for informational purposes only.
Patents
Patent NumberPediatric ExtensionApprovedExpires (estimated)Region
US6946149No2005-09-202023-03-07US flag
US10143656No2018-12-042037-08-04US flag
US11033498No2021-06-152037-08-04US flag
US11382864No2017-08-042037-08-04US flag
US11638697No2017-08-042037-08-04US flag

Properties

State
Solid
Experimental Properties
PropertyValueSource
melting point (°C)1124 °C (decomposition)Not Available
water solubility710 mg/mLNot Available
logP-0.91Not Available
Predicted Properties
PropertyValueSource
logP-0.84Chemaxon
pKa (Strongest Acidic)-3Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area80.26 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity11.53 m3·mol-1Chemaxon
Polarizability5.81 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+0.7487
Blood Brain Barrier+0.9646
Caco-2 permeable-0.6267
P-glycoprotein substrateNon-substrate0.9137
P-glycoprotein inhibitor INon-inhibitor0.9194
P-glycoprotein inhibitor IINon-inhibitor0.9904
Renal organic cation transporterNon-inhibitor0.9521
CYP450 2C9 substrateNon-substrate0.8775
CYP450 2D6 substrateNon-substrate0.8213
CYP450 3A4 substrateNon-substrate0.7007
CYP450 1A2 substrateNon-inhibitor0.7767
CYP450 2C9 inhibitorNon-inhibitor0.7602
CYP450 2D6 inhibitorNon-inhibitor0.9115
CYP450 2C19 inhibitorNon-inhibitor0.7547
CYP450 3A4 inhibitorNon-inhibitor0.9759
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9577
Ames testNon AMES toxic0.5773
CarcinogenicityCarcinogens 0.8111
BiodegradationReady biodegradable0.943
Rat acute toxicity2.4160 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.7988
hERG inhibition (predictor II)Non-inhibitor0.9446
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-014i-0900000000-ecce6224eba6c0478dfd
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Targets

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Kind
Protein group
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
Blocker
Curator comments
The magnesium regulates the channel gating by binding to the EF-hand motif region in the COOH-terminal tail of the α-subunit of the channel.
General Function
Voltage-gated calcium channel activity
Specific Function
Voltage-sensitive calcium channels (VSCC) mediate the entry of calcium ions into excitable cells and are also involved in a variety of calcium-dependent processes, including muscle contraction, hor...

Components:
References
  1. Brunet S, Scheuer T, Klevit R, Catterall WA: Modulation of CaV1.2 channels by Mg2+ acting at an EF-hand motif in the COOH-terminal domain. J Gen Physiol. 2005 Oct;126(4):311-23. doi: 10.1085/jgp.200509333. Epub 2005 Sep 12. [Article]
  2. Bara M, Guiet-Bara A: Magnesium regulation of Ca2+ channels in smooth muscle and endothelial cells of human allantochorial placental vessels. Magnes Res. 2001 Mar;14(1-2):11-8. [Article]
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Drug created at June 13, 2005 13:24 / Updated at March 18, 2024 19:41