Details of the Drug

General Information of Drug (ID: DMJAS3O)

Drug Name
Hydroxyamphetamine
Synonyms
Hydroxyamfetamine; Hydroxyamphetamide; Norpholedrine; Norveritol; Nov-Pholedrin; Oksamfetamin; Oxamfetamin; Oxamphetamine; Oxamphetaminium; Paradrine; Paredrine; Paredrinex; Pedrolon; Phenol, 4-(2-aminopropyl)-; Phenol, p-(2-aminopropyl)-; Phenol,4-(2-aminopropyl)-; Pulsoton; alpha-Methyltyramine; hydroxyamphetamine; p-(2-Aminopropyl)phenol; p-HYDROXYAMPHETAMINE; .alpha.-Methyltyramine; 1-p-Hydroxyphenyl-2-propylamine; 103-86-6; 2-Amino-1-(p-hydroxyphenyl)propane; 4-(2-Aminopropyl)phenol; 4-Hydroxyamphetamine
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 151.21
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
ADMET Property
Metabolism
The drug is metabolized via ophthalmic []
Chemical Identifiers
Formula
C9H13NO
IUPAC Name
4-(2-aminopropyl)phenol
Canonical SMILES
CC(CC1=CC=C(C=C1)O)N
InChI
GIKNHHRFLCDOEU-UHFFFAOYSA-N
InChIKey
1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3
Cross-matching ID
PubChem CID
3651
ChEBI ID
CHEBI:103855
CAS Number
103-86-6
DrugBank ID
DB09352
INTEDE ID
DR1770

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4)
Main DME 		DE4LYSA CP3A4_HUMAN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Stereoselective method development and validation for determination of concentrations of amphetamine-type stimulants and metabolites in human urine using a simultaneous extraction-chiral derivatization approach. J Chromatogr B Analyt Technol Biomed Life Sci. 2011 Jan 1;879(1):8-16.