Phenylephrine bitartrateProduct ingredient for Phenylephrine
- Name
- Phenylephrine bitartrate
- Drug Entry
- Phenylephrine
Phenylephrine is an alpha-1 adrenergic receptor agonist used to treat hypotension,6,8 dilate the pupil,7 and induce local vasoconstriction.1 The action of phenylephrine, or neo-synephrine, was first described in literature in the 1930s.2
Phenylephrine was granted FDA approval in 1939.7
- Accession Number
- DBSALT001320
- Structure
Structure for Phenylephrine bitartrate (DBSALT001320)
- Synonyms
- Phenylephrine acid tartrate
- UNII
- 27O3Q5ML57
- CAS Number
- 17162-39-9
- Weight
- Average: 317.294
Monoisotopic: 317.111066576 - Chemical Formula
- C13H19NO8
- InChI Key
- NHKOTKKHHYKARN-NDAAPVSOSA-N
- InChI
- InChI=1S/C9H13NO2.C4H6O6/c1-10-6-9(12)7-3-2-4-8(11)5-7;5-1(3(7)8)2(6)4(9)10/h2-5,9-12H,6H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t9-;1-,2-/m01/s1
- IUPAC Name
- (2R,3R)-2,3-dihydroxybutanedioic acid; 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
- SMILES
- [H][C@](O)(C(O)=O)[C@@]([H])(O)C(O)=O.[H][C@](O)(CNC)C1=CC(O)=CC=C1
- External Links
- ChemSpider
- 25048410
- Predicted Properties
Property Value Source Water Solubility 161.0 mg/mL ALOGPS logP -1.3 ALOGPS logP -0.07 Chemaxon logS 0.03 ALOGPS pKa (Strongest Acidic) 9.07 Chemaxon pKa (Strongest Basic) 9.69 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 52.49 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 47.25 m3·mol-1 Chemaxon Polarizability 17.93 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon