Details
Stereochemistry | ACHIRAL |
Molecular Formula | C7H6O2 |
Molecular Weight | 122.1216 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
c1ccc(cc1)C(=O)O
InChI
InChIKey=WPYMKLBDIGXBTP-UHFFFAOYSA-N
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
Molecular Formula | C7H6O2 |
Molecular Weight | 122.1216 |
Charge | 0 |
Count |
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Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
DescriptionSources: https://ec.europa.eu/health/ph_risk/committees/04_sccp/docs/sccp_o_015.pdfhttp://www.viacheminc.com/product/ammonium-benzoate/Curator's Comment:: description was created based on several sources, including:
http://apps.who.int/medicinedocs/en/d/Jh2918e/24.2.html | http://www.wikidoc.org/index.php/Benzoic_acid | http://www.who.int/ipcs/publications/cicad/cicad26_rev_1.pdf | https://www.ewg.org/skindeep/ingredient/700679/BENZOIC_ACID/
Sources: https://ec.europa.eu/health/ph_risk/committees/04_sccp/docs/sccp_o_015.pdfhttp://www.viacheminc.com/product/ammonium-benzoate/
Curator's Comment:: description was created based on several sources, including:
http://apps.who.int/medicinedocs/en/d/Jh2918e/24.2.html | http://www.wikidoc.org/index.php/Benzoic_acid | http://www.who.int/ipcs/publications/cicad/cicad26_rev_1.pdf | https://www.ewg.org/skindeep/ingredient/700679/BENZOIC_ACID/
Ammonium benzoate, a white solid, is the ammonium salt of benzoic acid. A coarse, white powder, ammonium benzoate is used in the coatings industry as a cost-effective, amine-free flash rust inhibitor for ferrous substrates. Ammonium benzoate is also used as a preservative in certain adhesives and rubber latex and is commonly used as industrial preservative for paper wrappers, an agent for reducing curing time in vulcanization of rubber and an analytical reagent for various elements. In personal care products, ammonium benzoate is used as a preservative.
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
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Target ID: map00010 Sources: https://www.ncbi.nlm.nih.gov/pubmed/1785916 |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
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Curative | Whitfield’s ointment Approved UseTreatment of mild superficial fungal infections, particularly tinea pedis, tinea corporis and, occasionally, tinea capitis. |
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Curative | Whitfield’s ointment Approved UseTreatment of mild superficial fungal infections, particularly tinea pedis, tinea corporis and, occasionally, tinea capitis. |
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Primary | UCEPHAN Approved UseSodium benzoate and sodium phenylacetate combination is used to treat a condition caused by too much ammonia in the blood (hyperammonemia). Launch Date5.671296E11 |
Cmax
Value | Dose | Co-administered | Analyte | Population |
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99.7 μg/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/1804654/ |
40 mg single, oral dose: 40 mg route of administration: Oral experiment type: SINGLE co-administered: |
BENZOIC ACID plasma | Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED |
AUC
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
104.4 μg × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/1804654/ |
40 mg single, oral dose: 40 mg route of administration: Oral experiment type: SINGLE co-administered: |
BENZOIC ACID plasma | Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED |
T1/2
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
0.5 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/1804654/ |
40 mg single, oral dose: 40 mg route of administration: Oral experiment type: SINGLE co-administered: |
BENZOIC ACID plasma | Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED |
PubMed
Title | Date | PubMed |
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[Influence of sodium benzoate, p-aminobenzoic acid and ammonium benzoate on the lethal doses of procaine and lidocaine in male rats (author's transl)]. | 1973 Dec |
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Studies of aflatoxins in Chiang Mai, Thailand. | 1992 Apr |
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[Studies on the infrared and fluorescence spectra of europium lanthanum-benzoate complexes]. | 1999 Aug |
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Antineoplastic agents. 450. Synthesis of (+)-pancratistatin from (+)-narciclasine as relay(1a). | 2001 Apr 20 |
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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 |
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Non-ionic micellar affinity capillary electrophoresis for analysis of interactions between micelles and drugs. | 2001 Feb |
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Genetic manipulation of 6-phosphofructo-1-kinase and fructose 2,6-bisphosphate levels affects the extent to which benzoic acid inhibits the growth of Saccharomyces cerevisiae. | 2001 Feb |
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Convenient synthesis of 4,6-di-O-benzyl-myo-inositol and myo-inositol 1,3,5-orthoesters. | 2001 Feb 15 |
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Dansylation of hydroxyl and carboxylic acid functional groups. | 2001 Feb 26 |
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Cinnamic acid is a precursor of benzoic acids in cell cultures of Hypericum androsaemum L. but not in cell cultures of Centaurium erythraea RAFN. | 2001 Jan |
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Microfabrication of individual 200 microm diameter transdermal microconduits using high voltage pulsing in salicylic acid and benzoic acid. | 2001 Jan |
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The chlorobenzoate dioxygenase genes of Burkholderia sp. strain NK8 involved in the catabolism of chlorobenzoates. | 2001 Jan |
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Perennial rhinitis induced by benzoate intolerance. | 2001 Jan |
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Current strategies for the management of neonatal urea cycle disorders. | 2001 Jan |
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Oral agents for the treatment of type 2 diabetes mellitus: pharmacology, toxicity, and treatment. | 2001 Jul |
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Mutagenicity of electrophilic N-acyloxy-N-alkoxyamides. | 2001 Jul 25 |
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Mineralization of 2,4-D, mecoprop, isoproturon and terbuthylazine in a chalk aquifer. | 2001 Jun |
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Contact allergy to balsam of Peru. II. Patch test results in 102 patients with selected balsam of Peru constituents. | 2001 Jun |
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A multicenter study of patch test reactions with dental screening series. | 2001 Jun |
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Hepatic uptake and metabolism of benzoate: a multiple indicator dilution, perfused rat liver study. | 2001 Jun |
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[Kinetics of in vitro drug release from chitosan and N-alkyl chitosan membranes]. | 2001 Mar |
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A calorimetrically based method to convert toxic compounds into poly-3-hydroxybutyrate and to determine the efficiency and velocity of conversion. | 2001 Mar |
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Desulfomonile limimaris sp. nov., an anaerobic dehalogenating bacterium from marine sediments. | 2001 Mar |
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Stochastic-convective transport with nonlinear reaction and mixing: application to intermediate-scale experiments in aerobic biodegradation in saturated porous media. | 2001 Mar |
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High-performance liquid chromatographic method development and validation for the simultaneous quantitation of naproxen sodium and pseudoephedrine hydrochloride impurities. | 2001 Mar |
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Validation of an HPLC method for the quantification of ambroxol hydrochloride and benzoic acid in a syrup as pharmaceutical form stress test for stability evaluation. | 2001 Mar |
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Aerobic and anoxic biodegradation of benzoate: stability of biodegradative capability under endogenous conditions. | 2001 Mar |
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ATR-FTIR spectroscopic investigations on the effect of solvents on the permeation of benzoic acid and salicylic acid through silicone membranes. | 2001 Mar 23 |
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Cytosolic xanthine oxidoreductase mediated bioactivation of ethanol to acetaldehyde and free radicals in rat breast tissue. Its potential role in alcohol-promoted mammary cancer. | 2001 Mar 7 |
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Comamonas nitrativorans sp. nov., a novel denitrifier isolated from a denitrifying reactor treating landfill leachate. | 2001 May |
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Effect of several organic acids on phosphate adsorption by variable charge soils of central China. | 2001 May |
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Interaction of the novel anticonvulsant, BIA 2-093, with voltage-gated sodium channels: comparison with carbamazepine. | 2001 May |
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Method for the measurement of antioxidant activity in human fluids. | 2001 May |
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The loading module of rifamycin synthetase is an adenylation-thiolation didomain with substrate tolerance for substituted benzoates. | 2001 May 22 |
Sample Use Guides
A thin layer of ointment or cream should be applied twice daily to all infected areas for at least 4 weeks.
Route of Administration:
Topical
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/1785916
At concentrations of benzoic acid up to 4 mM, fermentation was stimulated and only low levels of benzoate were accumulated. Near the MIC (10 mM), fermentation was inhibited, ATP levels declined, and benzoate was accumulated to relatively higher levels.
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Jun 25 21:14:22 UTC 2021
by
admin
on
Fri Jun 25 21:14:22 UTC 2021
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Record UNII |
8SKN0B0MIM
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Record Status |
Validated (UNII)
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Record Version |
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Classification Tree | Code System | Code | ||
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JECFA EVALUATION |
INS-210
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FDA ORPHAN DRUG |
11385
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FDA ORPHAN DRUG |
77993
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NDF-RT |
N0000175807
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EPA PESTICIDE CODE |
9101
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NDF-RT |
N0000175806
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CFR |
21 CFR 310.527
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LOINC |
75065-3
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CFR |
21 CFR 573.210
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FDA ORPHAN DRUG |
365712
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CODEX ALIMENTARIUS (GSFA) |
INS-210
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CFR |
21 CFR 184.1021
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Code System | Code | Type | Description | ||
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C45678
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CONCEPT | Industrial Aid | ||
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INS-210
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8SKN0B0MIM
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PRIMARY | |||
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70589
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ALTERNATIVE | |||
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BENZOIC ACID
Created by
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PRIMARY | Description: Colourless, light, feathery crystals or a white, microcrystalline powder; odour, characteristic, faint. Solubility: Slightly soluble in water; freely soluble in ethanol (~750 g/l) TS, ether R. Category: Dermatological agent. Storage: Benzoic acid should be kept in a well-closed container. Definition: Benzoic acid contains not less than 99.0% and not more than 100.5% of C7H6O2, calculated with reference to the anhydrous substance. | ||
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C61646
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D019817
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CHEMBL541
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704
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M2363
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PRIMARY | Merck Index | ||
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18989
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1055002
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PRIMARY | USP-RS | ||
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243
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65-85-0
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BENZOIC ACID
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DB03793
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SUB12469MIG
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65-85-0
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200-618-2
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4664
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Related Record | Type | Details | ||
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PARENT -> CONSTITUENT ALWAYS PRESENT |
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SALT/SOLVATE -> PARENT | |||
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SALT/SOLVATE -> PARENT | |||
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SALT/SOLVATE -> PARENT | |||
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SALT/SOLVATE -> PARENT | |||
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SALT/SOLVATE -> PARENT | |||
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DERIVATIVE -> PARENT | |||
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SALT/SOLVATE -> PARENT | |||
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SALT/SOLVATE -> PARENT | |||
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PARENT -> CONSTITUENT ALWAYS PRESENT |
MIC 320 mg/L for ATCC 700392 and ATCC 700824 strains of H. pylori.
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SALT/SOLVATE -> PARENT | |||
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SALT/SOLVATE -> PARENT | |||
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SALT/SOLVATE -> PARENT | |||
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SALT/SOLVATE -> PARENT | |||
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SALT/SOLVATE -> PARENT | |||
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SALT/SOLVATE -> PARENT | |||
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SALT/SOLVATE -> PARENT | |||
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PARENT -> CONSTITUENT ALWAYS PRESENT | |||
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SALT/SOLVATE -> PARENT | |||
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SALT/SOLVATE -> PARENT | |||
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PARENT -> CONSTITUENT ALWAYS PRESENT | |||
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SALT/SOLVATE -> PARENT | |||
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PARENT -> CONSTITUENT ALWAYS PRESENT | |||
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SALT/SOLVATE -> PARENT | |||
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SALT/SOLVATE -> PARENT | |||
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SALT/SOLVATE -> PARENT | |||
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SALT/SOLVATE -> PARENT | |||
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SALT/SOLVATE -> PARENT | |||
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SALT/SOLVATE -> PARENT | |||
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SALT/SOLVATE -> PARENT |
Related Record | Type | Details | ||
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METABOLITE -> PARENT |
URINE
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METABOLITE -> PARENT |
in horse urine
URINE
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PARENT -> METABOLITE |
Related Record | Type | Details | ||
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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PARENT -> IMPURITY |
Correction factors: for the calculation of contents, multiply the peak areas by 4.0
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
http://apps.who.int/phint/pdf/b/Jb.6.1.49.pdf
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