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Phenylephrine (PC000604)

Record Information
Version1.0
Creation date2015-10-09 22:31:29 UTC
Update date2017-01-19 02:36:30 UTC
FoodComEx IDPC000604
FoodDB RecordFDB022891
Chemical Information
NamePhenylephrine
DescriptionAn alpha-adrenergic agonist used as a mydriatic, nasal decongestant, and cardiotonic agent (PubChem). Phenylephrine is used as a decongestant, available as an oral medicine or as a nasal spray. Phenylephrine is not the most common over-the-counter (OTC) decongestant (wikipedia) [HMDB]
CAS Number59-42-7
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
(-)-m-Hydroxy-a-(methylaminomethyl)benzyl alcoholGenerator
(-)-m-Hydroxy-alpha-(methylaminomethyl)benzyl alcoholChEBI
(-)-m-Hydroxy-α-(methylaminomethyl)benzyl alcoholGenerator
Adrianolhmdb
Ak-Dilatehmdb
Ak-Nefrinhmdb
Alcon efrinhmdb
Alconefrin Nasal Drops 12hmdb
Alconefrin Nasal Drops 25hmdb
Alconefrin Nasal Drops 50hmdb
Alconefrin Nasal Spray 25hmdb
Biomydrinhmdb
Dilatairhmdb
Dionephrinehmdb
Doktorshmdb
Durationhmdb
Fenilefrinahmdb
I-Phrinehmdb
Isophrimhmdb
Isophrinhmdb
Isopto Frinhmdb
L-(3-Hydroxyphenyl)-N-methylethanolamineChEBI
m-Methylaminoethanolphenolhmdb
m-Oxedrinehmdb
m-Sympatholhmdb
m-Sympatolhmdb
m-Synephrinehmdb
Mesatonhmdb
Mesatonehmdb
Mesatonumhmdb
Metaoxedrinhmdb
Metaoxedrinehmdb
Metaoxedrinumhmdb
Metasympatolhmdb
Metasynephrinehmdb
Mezatonhmdb
Minims Phenylephrinehmdb
Mydfrinhmdb
Neo-Synephrinehmdb
Neo-Synephrine Nasal Dropshmdb
Neo-Synephrine Nasal Jellyhmdb
Neo-Synephrine Nasal Sprayhmdb
Neo-Synephrine Pediatric Nasal Dropshmdb
Neofrinhmdb
Neophrynhmdb
Neosynephrinehmdb
Nostrilhmdb
Nostril Spray Pumphmdb
Nostril Spray Pump Mildhmdb
Ocu-Phrin Sterile Eye Dropshmdb
Ocu-Phrin Sterile Ophthalmic Solutionhmdb
Ocugestrinhmdb
Phenoptichmdb
Phenylephrinumhmdb
Prefrinhmdb
Prefrin Liquifilmhmdb
Pyracort Dhmdb
R(-)-Mezatonhmdb
R(-)-Phenylephrinehmdb
Relief Eye Drops for Red Eyeshmdb
Rhinallhmdb
Spersaphrinehmdb
Vicks Sinexhmdb
Visadronhmdb
Chemical FormulaC9H13NO2
IUPAC name3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
InChI IdentifierInChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
InChI KeySONNWYBIRXJNDC-VIFPVBQESA-N
Isomeric SMILESCNC[C@H](O)C1=CC(O)=CC=C1
Average Molecular Weight167.205
Monoisotopic Molecular Weight167.094628665
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub Class1-hydroxy-4-unsubstituted benzenoids
Direct Parent1-hydroxy-4-unsubstituted benzenoids
Alternative Parents
Substituents
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Aralkylamine
  • Monocyclic benzene moiety
  • 1,2-aminoalcohol
  • Secondary alcohol
  • Secondary aliphatic amine
  • Secondary amine
  • Alcohol
  • Organopnictogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Organic oxygen compound
  • Amine
  • Aromatic alcohol
  • Hydrocarbon derivative
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
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 1 g
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 J10016
AKSci R780
Cayman Chemical 17205
Glentham GP5595