phenylephrine   Click here for help

GtoPdb Ligand ID: 485

Synonyms: m-oxedrine | metasynephrine
Approved drug
phenylephrine is an approved drug (FDA (1952))
Compound class: Synthetic organic
Comment: Marketed formulations may contain phenylephrine hydrochloride (PubChem CID 5284443).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 52.49
Molecular weight 167.09
XLogP 0.52
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CNCC(c1cccc(c1)O)O
Isomeric SMILES CNC[C@@H](c1cccc(c1)O)O
InChI InChI=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 Key SONNWYBIRXJNDC-VIFPVBQESA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1952))
IUPAC Name Click here for help
3-[(1R)-1-hydroxy-2-methylaminoethyl]phenol
International Nonproprietary Names Click here for help
INN number INN
4174 phenylephrine
Synonyms Click here for help
m-oxedrine | metasynephrine
Database Links Click here for help
CAS Registry No. 59-42-7
ChEBI CHEBI:8093
ChEMBL Ligand CHEMBL1215
DrugBank Ligand DB00388
DrugCentral Ligand 2146
GtoPdb PubChem SID 135650819
PubChem CID 6041
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Wikipedia Phenylephrine