dexamfetamine   Click here for help

GtoPdb Ligand ID: 2147

Synonyms: (+)-alpha-methylphenylethylamine | d-amphetamine | Dexadrine® | dextroamphetamine | Dextrostat® | S(+)amphetamine
Approved drug PDB Ligand
dexamfetamine is an approved drug (FDA (1955, in complex; 1975 as Dextroamphetamine sulphate))
Compound class: Synthetic organic
Comment: Dextroamphetamine was first approved by the FDA in 1955 as dextroamphetamine resin complex in combination with amphetamine complex.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 26.02
Molecular weight 135.1
XLogP 1.76
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(Cc1ccccc1)N
Isomeric SMILES C[C@@H](Cc1ccccc1)N
InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
InChI Key KWTSXDURSIMDCE-QMMMGPOBSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1955, in complex; 1975 as Dextroamphetamine sulphate))
Prodrug lisdexamfetamine
IUPAC Name Click here for help
(2S)-1-phenylpropan-2-amine
International Nonproprietary Names Click here for help
INN number INN
1430 dexamfetamine
Synonyms Click here for help
(+)-alpha-methylphenylethylamine | d-amphetamine | Dexadrine® | dextroamphetamine | Dextrostat® | S(+)amphetamine
Database Links Click here for help
BindingDB Ligand 50022723
CAS Registry No. 51-64-9
ChEBI CHEBI:4469
ChEMBL Ligand CHEMBL612
DrugBank Ligand DB01576
DrugCentral Ligand 841
GtoPdb PubChem SID 135650979
PubChem CID 5826
RCSB PDB Ligand 1WE
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Wikipedia Dexamfetamine