Mandelic acid
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Mandelic acid
- DrugBank Accession Number
- DB13218
- Background
Mandelic acid is an approved aromatic, alpha hydroxy acid 1. Mandelic acid is used as an ingredient in cosmetics and drug products applied topically.
- Type
- Small Molecule
- Groups
- Approved
- Structure
- Weight
- Average: 152.149
Monoisotopic: 152.047344118 - Chemical Formula
- C8H8O3
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- 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.Not Available
- Food Interactions
- Not Available
Categories
- ATC Codes
- B05CA06 — Mandelic acid
- B05CA — Antiinfectives
- B05C — IRRIGATING SOLUTIONS
- B05 — BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- B — BLOOD AND BLOOD FORMING ORGANS
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Not Available
- Direct Parent
- Benzene and substituted derivatives
- Alternative Parents
- Alpha hydroxy acids and derivatives / Secondary alcohols / Monocarboxylic acids and derivatives / Carboxylic acids / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds / Aromatic alcohols
- Substituents
- Alcohol / Alpha-hydroxy acid / Aromatic alcohol / Aromatic homomonocyclic compound / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Hydrocarbon derivative / Hydroxy acid / Monocarboxylic acid or derivatives
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- benzenes, 2-hydroxy monocarboxylic acid (CHEBI:35825)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- NH496X0UJX
- CAS number
- 90-64-2
- InChI Key
- IWYDHOAUDWTVEP-UHFFFAOYSA-N
- InChI
- InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
- IUPAC Name
- 2-hydroxy-2-phenylacetic acid
- SMILES
- OC(C(O)=O)C1=CC=CC=C1
References
- General References
- FDA - Alpha Hydroxy Acids [Link]
- External Links
- Human Metabolome Database
- HMDB0124926
- ChemSpider
- 1253
- BindingDB
- 92715
- 29256
- ChEBI
- 35825
- ChEMBL
- CHEMBL1609
- Wikipedia
- Mandelic_acid
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 16.8 mg/mL ALOGPS logP 0.66 ALOGPS logP 0.9 Chemaxon logS -0.96 ALOGPS pKa (Strongest Acidic) 3.75 Chemaxon pKa (Strongest Basic) -4.1 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 57.53 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 38.7 m3·mol-1 Chemaxon Polarizability 14.66 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 132.7905102 predictedDarkChem Lite v0.1.0 [M-H]- 125.6566 predictedDeepCCS 1.0 (2019) [M+H]+ 133.9692102 predictedDarkChem Lite v0.1.0 [M+H]+ 128.82376 predictedDeepCCS 1.0 (2019) [M+Na]+ 133.0426102 predictedDarkChem Lite v0.1.0 [M+Na]+ 137.97447 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:37 / Updated at June 12, 2020 16:53