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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2021423
CHEMBL2021423
Compound Name MAGNESIUM SULFATE ANHYDROUS
ChEMBL Synonyms EPSOM SALT | MAGNESIUM SULFATE ANHYDROUS | MAGNESIUM SULPHATE | ORIGINAL ANDREWS SALTS | MAGNESIUM SULFATE | MAG SULF
Max Phase 4 (Approved)
Trade Names MAGNESIUM SULFATE | Epsom Salt | ORIGINAL ANDREWS SALTS | Magnesium sulfate anhydrous | MAG SULF
Molecular Formula MgO4S

Additional synonyms for CHEMBL2021423 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Mg+2].[O-]S(=O)(=O)[O-]
Standard InChI InChI=1S/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
Standard InChI Key CSNNHWWHGAXBCP-UHFFFAOYSA-L

Sources

  • British National Formulary
  • Orange Book
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL2021423

Molecule Features

CHEMBL2021423 compound icon
Drug Type:Inorganic Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Unknown Not Available FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Atrial FibrillationD001281EFO:0000275atrial fibrillation3ClinicalTrials
Coronary Artery DiseaseD003324EFO:0000378coronary artery disease3ClinicalTrials
Hand, Foot and Mouth DiseaseD006232EFO:0007294hand, foot and mouth disease2ClinicalTrials
PainD010146EFO:0003843pain3ClinicalTrials
Pancreatic NeoplasmsD010190EFO:0002618pancreatic carcinoma2ClinicalTrials
Purpura, Thrombocytopenic, IdiopathicD016553EFO:0007160autoimmune thrombocytopenic purpura3ClinicalTrials
Peripheral Nervous System DiseasesD010523EFO:0004149neuropathy1ClinicalTrials
Substance Withdrawal SyndromeD013375EFO:0004777alcohol withdrawal3ClinicalTrials
TinnitusD0140123ClinicalTrials
Anemia, Iron-DeficiencyD018798HP:0001891iron deficiency anemia4DailyMed
DailyMed
Anemia, Sickle CellD000755Orphanet:232Sickle cell anemia3ClinicalTrials
AsthmaD001249EFO:0000270asthma3ClinicalTrials
Cerebral PalsyD002547EFO:1000632cerebral palsy3ClinicalTrials
HeadacheD006261HP:0002315Headache2ClinicalTrials
Muscular DiseasesD009135EFO:0002970muscular disease2ClinicalTrials
BronchiolitisD001988HP:0011950Bronchiolitis2ClinicalTrials
Head and Neck NeoplasmsD006258EFO:0006859head and neck malignant neoplasia1ClinicalTrials
Hearing Loss, Noise-InducedD006317EFO:1001254noise-induced hearing loss2ClinicalTrials
NeuralgiaD009437EFO:0005762neuropathic pain2ClinicalTrials
OsteoporosisD010024EFO:0003882osteoporosis1ClinicalTrials
Pre-EclampsiaD011225EFO:0000668preeclampsia2ClinicalTrials
StrokeD020521EFO:0000712stroke3ClinicalTrials
Brain IschemiaD002545HP:0002637Cerebral ischemia3ClinicalTrials
Pulmonary Disease, Chronic ObstructiveD029424EFO:0000341chronic obstructive pulmonary disease3ClinicalTrials
Renal ColicD056844EFO:1001412Renal Colic2ClinicalTrials
Renal Insufficiency, ChronicD051436EFO:0003884chronic kidney disease2ClinicalTrials
ScoliosisD012600EFO:0004273scoliosis2ClinicalTrials
Wounds and InjuriesD014947EFO:0000546injury2ClinicalTrials
Temporomandibular Joint DisordersD013705EFO:0005279temporomandibular joint disorder1ClinicalTrials
Epstein-Barr Virus InfectionsD020031EFO:0000769Epstein-Barr virus infection1ClinicalTrials
AnemiaD000740EFO:0004272anemia4DailyMed
Colorectal NeoplasmsD015179EFO:0004142colorectal neoplasm3ClinicalTrials
Colorectal NeoplasmsD015179EFO:1001951colorectal carcinoma3ClinicalTrials
HypertensionD006973EFO:0000537hypertension1ClinicalTrials
Premature BirthD047928EFO:0003917premature birth3ClinicalTrials
Subarachnoid HemorrhageD013345EFO:0000713subarachnoid hemorrhage3ClinicalTrials

Clinical Data

ClinicalTrials.gov MAGNESIUM SULFATE ANHYDROUS
The Cochrane Collaboration MAGNESIUM SULFATE ANHYDROUS

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
120.4 119.9368 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL2021423

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A06 - DRUGS FOR CONSTIPATION
A06A - DRUGS FOR CONSTIPATION
A06AD - Osmotically acting laxatives
A06AD04 - magnesium sulfate

B - BLOOD AND BLOOD FORMING ORGANS
B05 - BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
B05X - I.V. SOLUTION ADDITIVES
B05XA - Electrolyte solutions
B05XA05 - magnesium sulfate

D - DERMATOLOGICALS
D11 - OTHER DERMATOLOGICAL PREPARATIONS
D11A - OTHER DERMATOLOGICAL PREPARATIONS
D11AX - Other dermatologicals
D11AX05 - magnesium sulfate

V - VARIOUS
V04 - DIAGNOSTIC AGENTS
V04C - OTHER DIAGNOSTIC AGENTS
V04CC - Tests for bile duct patency
V04CC02 - magnesium sulfate

A - ALIMENTARY TRACT AND METABOLISM
A12 - MINERAL SUPPLEMENTS
A12C - OTHER MINERAL SUPPLEMENTS
A12CC - Magnesium
A12CC02 - magnesium sulfate

ChemSpider ChemSpider:CSNNHWWHGAXBCP-UHFFFAOYSA-L
DailyMed magnesium sulfate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2021423



ACToR 18939-43-0 68081-97-0 139939-75-6 10028-26-9 7487-88-9
Brenda 1205
ChEBI 32599
ChemicalBook CB9122608 CB6122607
DrugBank DB00653
eMolecules 474474
EPA CompTox Dashboard DTXSID6042105
FDA SRS ML30MJ2U7I
Nikkaji J3.103H
PharmGKB PA450302
PubChem 24083 522565
PubChem: Thomson Pharma 15194416
SureChEMBL SCHEMBL629

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/CSNNHWWHGAXBCP-UHFFFAOYSA-L spacer
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