Record Information
Version1.0
Creation date2015-10-09 22:31:31 UTC
Update date2017-01-19 02:36:30 UTC
FoodComEx IDPC000614
FoodDB RecordFDB022771
Chemical Information
Name3-Aminosalicylic acid
Description3-Aminosalicylic acid is a derivative of salicylic acid, a common anti-inflammatory drug. [HMDB]
CAS Number570-23-0
Structure
Thumb
Synonyms
SynonymSource
3-Amino Salicylatehmdb
3-Amino Salicylic acidhmdb
3-amino-(8CI)salicylatehmdb
3-amino-(8CI)salicylic acidhmdb
3-amino-2-hydroxy-(9CI)benzoatehmdb
3-amino-2-hydroxy-(9CI)benzoic acidhmdb
3-amino-2-hydroxy-benzoatehmdb
3-amino-2-hydroxy-benzoic acidhmdb
3-Amino-2-hydroxybenzoatehmdb
3-Amino-2-hydroxybenzoic acidhmdb
3-amino-salicylatehmdb
3-amino-salicylic acidhmdb
3-Aminosalicylatehmdb
Desacetyleupaserrinhmdb
Parasalhmdb
Paserhmdb
Chemical FormulaC7H7NO3
IUPAC name3-amino-2-hydroxybenzoic acid
InChI IdentifierInChI=1S/C7H7NO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,8H2,(H,10,11)
InChI KeyIQGMRVWUTCYCST-UHFFFAOYSA-N
Isomeric SMILESNC1=CC=CC(C(O)=O)=C1O
Average Molecular Weight153.1354
Monoisotopic Molecular Weight153.042593095
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aminosalicylic acids. These are salicylic acids carrying an amino group on the benzene ring.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzoic acids and derivatives
Direct ParentAminosalicylic acids
Alternative Parents
Substituents
  • 3-aminosalicylic acid
  • Aminosalicylic acid
  • Salicylic acid
  • Aminobenzoic acid or derivatives
  • Aminobenzoic acid
  • Benzoic acid
  • Aniline or substituted anilines
  • O-aminophenol
  • Aminophenol
  • Benzoyl
  • 1-hydroxy-4-unsubstituted benzenoid
  • Phenol
  • Vinylogous acid
  • Amino acid
  • Amino acid or derivatives
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Amine
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 50 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci X8030
Toronto Research Chemicals A629260