Phenylephrine hydrochlorideProduct ingredient for Phenylephrine

Name
Phenylephrine hydrochloride
Drug Entry
Phenylephrine

Phenylephrine is a sympathomimetic amine that acts predominantly on α-adrenergic receptors. It is mainly used to treat nasal congestion, but may also be useful in treating hypotension and shock, hypotension during spinal anaesthesia, prolongation of spinal anaesthesia, paroxysmal supraventricular tachycardia, symptomatic relief of external or internal hemorrhoids, and to increase blood pressure as an aid in the diagnosis of heart murmurs.

Accession Number
DBSALT000858
Structure
Thumb
Synonyms
Phenylephrine HCl
UNII
04JA59TNSJ
CAS Number
61-76-7
Weight
Average: 203.67
Monoisotopic: 203.0713064
Chemical Formula
C9H14ClNO2
InChI Key
OCYSGIYOVXAGKQ-FVGYRXGTSA-N
InChI
InChI=1S/C9H13NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,9-12H,6H2,1H3;1H/t9-;/m0./s1
IUPAC Name
hydrogen 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol chloride
SMILES
[H+].[Cl-].CNC[C@H](O)C1=CC(O)=CC=C1
External Links
KEGG Drug
D00511
PubChem Compound
441279
ChemSpider
390042
ChEBI
8094
ChEMBL
CHEMBL1200339
Wikipedia
Phenylephrine
Predicted Properties
PropertyValueSource
Water Solubility22.0 mg/mLALOGPS
logP-0.69ALOGPS
logP-0.07ChemAxon
logS-0.88ALOGPS
pKa (Strongest Acidic)9.07ChemAxon
pKa (Strongest Basic)9.69ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area52.49 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity47.25 m3·mol-1ChemAxon
Polarizability17.97 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon