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

Details

Stereochemistry ACHIRAL
Molecular Formula 2C7H5O3.Mg.4H2O
Molecular Weight 370.5917
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MAGNESIUM SALICYLATE

SMILES

O.O.O.O.[Mg++].OC1=C(C=CC=C1)C([O-])=O.OC2=C(C=CC=C2)C([O-])=O

InChI

InChIKey=NBQBEWAYWAMLJJ-UHFFFAOYSA-L
InChI=1S/2C7H6O3.Mg.4H2O/c2*8-6-4-2-1-3-5(6)7(9)10;;;;;/h2*1-4,8H,(H,9,10);;4*1H2/q;;+2;;;;/p-2

HIDE SMILES / InChI

Molecular Formula C7H6O3
Molecular Weight 138.1207
Charge 0
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

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

Description
Curator's Comment: Description was created based on several sources, including https://www.drugs.com/pro/salicylic-acid.html

Methyl salicylate (or methyl 2-hydroxybenzoate), also known as wintergreen oil, is a natural product and is present in white wine, tea, porcini mushroom Boletus edulis, Bourbon vanilla, clary sage, red sage and fruits including cherry, apple, raspberry, papaya and plum. Methyl salicylate is topically used in combination with methanol and under brand name SALONPAS to temporarily relieves mild to moderate aches and pains of muscles and joints associated with: strains, sprains, simple backache, arthritis, bruises. The precise mechanism of action of methyl salicylate is not known, but there is suggested, that it cause dilation of the capillaries thereby increasing blood flow to the area.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
1.48 nM [Kd]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Palliative
SALONPAS

Approved Use

Temporarily relieves mild to moderate aches and pains of muscles and joints associated with: strains, sprains, simple backache, arthritis, bruises

Launch Date

1.20346562E12
Palliative
SALONPAS

Approved Use

Temporarily relieves mild to moderate aches and pains of muscles and joints associated with: strains, sprains, simple backache, arthritis, bruises

Launch Date

1.20346562E12
Palliative
SALONPAS

Approved Use

Temporarily relieves mild to moderate aches and pains of muscles and joints associated with: strains, sprains, simple backache, arthritis, bruises

Launch Date

1.20346562E12
Palliative
SALONPAS

Approved Use

Temporarily relieves mild to moderate aches and pains of muscles and joints associated with: strains, sprains, simple backache, arthritis, bruises

Launch Date

1.20346562E12
Primary
Salicylic Acid

Approved Use

Salicylic Acid 6% is a topical aid in the removal of excessive keratin in hyperkeratotic skin disorders including verrucae, and the various ichthyoses (vulgaris, sex-linked and lamellar), keratosis palmaris and plantaris keratosis pilaris, pityriasis rubra pilaris, and psoriasis (including body, scalp, palms and soles).

Launch Date

1.35501119E12
Primary
Salicylic Acid

Approved Use

Salicylic Acid 6% is a topical aid in the removal of excessive keratin in hyperkeratotic skin disorders including verrucae, and the various ichthyoses (vulgaris, sex-linked and lamellar), keratosis palmaris and plantaris keratosis pilaris, pityriasis rubra pilaris, and psoriasis (including body, scalp, palms and soles).

Launch Date

1.35501119E12
Primary
Salicylic Acid

Approved Use

Salicylic Acid 6% is a topical aid in the removal of excessive keratin in hyperkeratotic skin disorders including verrucae, and the various ichthyoses (vulgaris, sex-linked and lamellar), keratosis palmaris and plantaris keratosis pilaris, pityriasis rubra pilaris, and psoriasis (including body, scalp, palms and soles).

Launch Date

1.35501119E12
T1/2

T1/2

ValueDoseCo-administeredAnalytePopulation
238 min
500 mg single, intravenous
dose: 500 mg
route of administration: Intravenous
experiment type: SINGLE
co-administered:
SALICYLIC ACID plasma
Homo sapiens
population: UNKNOWN
age: UNKNOWN
sex: MALE
food status: UNKNOWN
Doses

Doses

DosePopulationAdverse events​
30 % 1 times / 2 weeks multiple, topical
Dose: 30 %, 1 times / 2 weeks
Route: topical
Route: multiple
Dose: 30 %, 1 times / 2 weeks
Sources:
unhealthy, 23.05 ± 5.7 years
n = 43
Health Status: unhealthy
Condition: Acne vulgaris
Age Group: 23.05 ± 5.7 years
Sex: M+F
Population Size: 43
Sources:
Other AEs: Redness, Scales...
Other AEs:
Redness
Scales
Sources:
AEs

AEs

AESignificanceDosePopulation
Redness
30 % 1 times / 2 weeks multiple, topical
Dose: 30 %, 1 times / 2 weeks
Route: topical
Route: multiple
Dose: 30 %, 1 times / 2 weeks
Sources:
unhealthy, 23.05 ± 5.7 years
n = 43
Health Status: unhealthy
Condition: Acne vulgaris
Age Group: 23.05 ± 5.7 years
Sex: M+F
Population Size: 43
Sources:
Scales
30 % 1 times / 2 weeks multiple, topical
Dose: 30 %, 1 times / 2 weeks
Route: topical
Route: multiple
Dose: 30 %, 1 times / 2 weeks
Sources:
unhealthy, 23.05 ± 5.7 years
n = 43
Health Status: unhealthy
Condition: Acne vulgaris
Age Group: 23.05 ± 5.7 years
Sex: M+F
Population Size: 43
Sources:
Overview

Overview

CYP3A4CYP2C9CYP2D6hERG



Drug as perpetrator​

Drug as perpetrator​

TargetModalityActivityMetaboliteClinical evidence
yes
Drug as victim

Drug as victim

TargetModalityActivityMetaboliteClinical evidence
likely
likely
major
no
no
no
yes
yes
yes
yes
yes
yes
yes
yes
yes
yes
yes
yes
yes
yes
PubMed

PubMed

TitleDatePubMed
Salicylate attenuates gentamicin-induced ototoxicity.
1999 Jul
Effects of salicylates on evoked otoacoustic emissions and remote masking in humans.
1999 May-Jun
Microdialysis vs. suction blister technique for in vivo sampling of pharmacokinetics in the human dermis.
1999 Sep
The central catechol-O-methyltransferase inhibitor tolcapone increases striatal hydroxyl radical production in L-DOPA/carbidopa treated rats.
2001
Directed control of electroosmotic flow in nonaqueous electrolytes using poly(ethylene glycol) coated capillaries.
2001
Hydroxyl radical adduct of 5-aminosalicylic acid: a potential marker of ozone-induced oxidative stress.
2001
Risk of upper gastrointestinal bleeding and perforation associated with low-dose aspirin as plain and enteric-coated formulations.
2001
Arabidopsis genome sequence as a tool for functional genomics in tomato.
2001
Unraveling regulatory networks in plant defense using microarrays.
2001
Evaluation of insulin permeability and effects of absorption enhancers on its permeability by an in vitro pulmonary epithelial system using Xenopus pulmonary membrane.
2001 Apr
Sodium salicylate increases CYP2E1 levels and enhances arachidonic acid toxicity in HepG2 cells and cultured rat hepatocytes.
2001 Apr
Uptake mechanism of valproic acid in human placental choriocarcinoma cell line (BeWo).
2001 Apr 13
Nuclear factor-kappaB activation is not involved in a MPTP model of Parkinson's disease.
2001 Apr 17
Effect of fluvastatin, an inhibitor of 3-hydroxy-3-methylglutaryl coenzyme A reductase, on nitric oxide-induced hydroxyl radical generation in the rat heart.
2001 Apr 30
[Tolerability of a selective cyclooxygenase-2-inhibitor (rofecoxib) in patients with intolerance reactions to nonsteroidal anti-inflammatory agents].
2001 Apr 6
Induction of wound response gene expression in tomato leaves by ionophores.
2001 Feb
Isolation and preliminary characterization of the medium-chain fatty acid:CoA ligase responsible for activation of short- and medium-chain fatty acids in colonic mucosa from swine.
2001 Feb
Estrogenic activity of phenolic additives determined by an in vitro yeast bioassay.
2001 Feb
Acetylsalicylic acid and other salicylates in relation to Stevens-Johnson syndrome and toxic epidermal necrolysis.
2001 Feb
Are 2 combined antimicrobial mechanisms better than 1 for the treatment of acne vulgaris? Clinical and antimicrobial results of a topical combination product containing 1% clindamycin and 5% benzoyl peroxide. Introduction.
2001 Feb
A novel pH-sensitive membrane from chitosan--TEOS IPN; preparation and its drug permeation characteristics.
2001 Feb
The spinning disc reactor--studies on a novel TiO2 photocatalytic reactor.
2001 Feb
3-Hydroxybenzoic acid as an internal standard for the high-pressure liquid chromatography quantitation of salicylic acid in plants.
2001 Feb 1
Breakage and fusion of the TEL (ETV6) gene in immature B lymphocytes induced by apoptogenic signals.
2001 Feb 1
A hot pepper cDNA encoding a pathogenesis-related protein 4 is induced during the resistance response to tobacco mosaic virus.
2001 Feb 28
Molecular cloning of the nahG gene encoding salicylate hydroxylase from Pseudomonas fluorescens.
2001 Feb 28
Effect of jasmonic, salicylic, and abscisic acids on [(14)C]leucine incorporation into proteins of pea leaves.
2001 Jan
Mice with a partial deficiency of manganese superoxide dismutase show increased vulnerability to the mitochondrial toxins malonate, 3-nitropropionic acid, and MPTP.
2001 Jan
Effect of 4-trifluoromethyl derivatives of salicylate on nuclear factor kappaB-dependent transcription in human astrocytoma cells.
2001 Jan
Ion channel-forming alamethicin is a potent elicitor of volatile biosynthesis and tendril coiling. Cross talk between jasmonate and salicylate signaling in lima bean.
2001 Jan
Free and conjugated benzoic acid in tobacco plants and cell cultures. Induced accumulation upon elicitation of defense responses and role as salicylic acid precursors.
2001 Jan
The possibility of achieving an interactive mixture with high dose homogeneity containing an extremely low proportion of a micronised drug.
2001 Jan
Reversed-phase high-performance liquid chromatography versus spectrophotometric assay for thimerosal in Cuban recombinant hepatitis B vaccine.
2001 Jan 12
Salicylate and cocaine: interactive toxicity during chicken mid-embryogenesis.
2001 Jan 15
Quantitative analysis of crystalline pharmaceuticals in powders and tablets by a pattern-fitting procedure using X-ray powder diffraction data.
2001 Jan 16
Broad-spectrum mildew resistance in Arabidopsis thaliana mediated by RPW8.
2001 Jan 5
Quantitative analysis of hydroxyl radicals in the anterior optic nerve of the cat following transient ischemia.
2001 Jan-Feb
Interaction of the Arabidopsis receptor protein kinase Wak1 with a glycine-rich protein, AtGRP-3.
2001 Jul 13
A recessive mutation in the Arabidopsis SSI2 gene confers SA- and NPR1-independent expression of PR genes and resistance against bacterial and oomycete pathogens.
2001 Mar
Potentiometric determination of acetylsalicylic acid by sequential injection analysis (SIA) using a tubular salicylate-selective electrode.
2001 Mar
In vivo evidence for accelerated generation of hydroxyl radicals in liver of Long-Evans Cinnamon (LEC) rats with acute hepatitis.
2001 Mar 1
Selective inhibition of interleukin-4 gene expression in human T cells by aspirin.
2001 Mar 15
ATR-FTIR spectroscopic investigations on the effect of solvents on the permeation of benzoic acid and salicylic acid through silicone membranes.
2001 Mar 23
Differential vulnerability of basal and apical hair cells is based on intrinsic susceptibility to free radicals.
2001 May
Asbestos causes apoptosis in alveolar epithelial cells: role of iron-induced free radicals.
2001 May
Acanthoamoeba attachment to contact lenses.
2001 May
Anti-inflammatory and antipyretic effects of Trigonella foenum-graecum leaves extract in the rat.
2001 May
Binding of cosalane--a novel highly lipophilic anti-HIV agent--to albumin and glycoprotein.
2001 May
Laryngeal oedema caused by accidental ingestion of Oil of Wintergreen.
2001 May 11
6-hydroxydopamine increases hydroxyl free radical production and DNA damage in rat striatum.
2001 May 8
Patents

Sample Use Guides

The preferable method of use is to apply Salicylic Acid 6% thoroughly to the affected area and to cover the treated area at night after washing and before retiring. Preferably, the skin should be hydrated for a least five minutes prior to application.
Route of Administration: Topical
In Vitro Use Guide
Salicylic acid inhibited hippuric acid formation in the homogenates obtained from the specimens of human liver with IC50 value 0.19 mM
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:35:31 UTC 2023
Edited
by admin
on Fri Dec 15 15:35:31 UTC 2023
Record UNII
41728CY7UX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MAGNESIUM SALICYLATE
INCI   MI   USP   USP-RS   VANDF   WHO-DD  
INCI  
Official Name English
MAGNESIUM SALICYLATE [VANDF]
Common Name English
MAGNESIUM SALICYLATE TETRAHYDRATE [MI]
Common Name English
MOMENTUM
Brand Name English
MAGNESIUM SALICYLATE [USP MONOGRAPH]
Common Name English
Magnesium salicylate (1:2), tetrahydrate
Common Name English
Magnesium salicylate [WHO-DD]
Common Name English
MAGNESIUM SALICYLATE [USP-RS]
Common Name English
MAGNESIUM SALICYLATE [INCI]
Common Name English
MAGNESIUM SALICYLATE TETRAHYDRATE
Systematic Name English
BACKACHE CAPLETS
Brand Name English
MAGNESIUM, BIS(2-(HYDROXY-.KAPPA.O)BENZOATO-.KAPPA.O)-, HYDRATE (1:4), (T-4)-
Systematic Name English
BAYER SELECT BACKACHE
Brand Name English
Classification Tree Code System Code
DSLD 3106 (Number of products:3)
Created by admin on Fri Dec 15 15:35:31 UTC 2023 , Edited by admin on Fri Dec 15 15:35:31 UTC 2023
NCI_THESAURUS C257
Created by admin on Fri Dec 15 15:35:31 UTC 2023 , Edited by admin on Fri Dec 15 15:35:31 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL2106755
Created by admin on Fri Dec 15 15:35:31 UTC 2023 , Edited by admin on Fri Dec 15 15:35:31 UTC 2023
PRIMARY
DRUG BANK
DB01397
Created by admin on Fri Dec 15 15:35:31 UTC 2023 , Edited by admin on Fri Dec 15 15:35:31 UTC 2023
PRIMARY
PUBCHEM
5282387
Created by admin on Fri Dec 15 15:35:31 UTC 2023 , Edited by admin on Fri Dec 15 15:35:31 UTC 2023
PRIMARY
NCI_THESAURUS
C66050
Created by admin on Fri Dec 15 15:35:31 UTC 2023 , Edited by admin on Fri Dec 15 15:35:31 UTC 2023
PRIMARY
RXCUI
253186
Created by admin on Fri Dec 15 15:35:31 UTC 2023 , Edited by admin on Fri Dec 15 15:35:31 UTC 2023
PRIMARY
CAS
18917-95-8
Created by admin on Fri Dec 15 15:35:31 UTC 2023 , Edited by admin on Fri Dec 15 15:35:31 UTC 2023
PRIMARY
SMS_ID
100000076809
Created by admin on Fri Dec 15 15:35:31 UTC 2023 , Edited by admin on Fri Dec 15 15:35:31 UTC 2023
PRIMARY
RXCUI
52364
Created by admin on Fri Dec 15 15:35:31 UTC 2023 , Edited by admin on Fri Dec 15 15:35:31 UTC 2023
ALTERNATIVE
RS_ITEM_NUM
1374306
Created by admin on Fri Dec 15 15:35:31 UTC 2023 , Edited by admin on Fri Dec 15 15:35:31 UTC 2023
PRIMARY
MERCK INDEX
m7019
Created by admin on Fri Dec 15 15:35:31 UTC 2023 , Edited by admin on Fri Dec 15 15:35:31 UTC 2023
PRIMARY Merck Index
EVMPD
SUB14444MIG
Created by admin on Fri Dec 15 15:35:31 UTC 2023 , Edited by admin on Fri Dec 15 15:35:31 UTC 2023
PRIMARY
MESH
C496892
Created by admin on Fri Dec 15 15:35:31 UTC 2023 , Edited by admin on Fri Dec 15 15:35:31 UTC 2023
PRIMARY
DRUG CENTRAL
4510
Created by admin on Fri Dec 15 15:35:31 UTC 2023 , Edited by admin on Fri Dec 15 15:35:31 UTC 2023
PRIMARY
DAILYMED
41728CY7UX
Created by admin on Fri Dec 15 15:35:31 UTC 2023 , Edited by admin on Fri Dec 15 15:35:31 UTC 2023
PRIMARY
FDA UNII
41728CY7UX
Created by admin on Fri Dec 15 15:35:31 UTC 2023 , Edited by admin on Fri Dec 15 15:35:31 UTC 2023
PRIMARY
EPA CompTox
DTXSID6046896
Created by admin on Fri Dec 15 15:35:31 UTC 2023 , Edited by admin on Fri Dec 15 15:35:31 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
ANHYDROUS->SOLVATE
Related Record Type Details
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Related Record Type Details
ACTIVE MOIETY