methoxamine   Click here for help

GtoPdb Ligand ID: 483

Synonyms: 2,5-dimethoxynorephedrine
Approved drug
methoxamine is an approved drug
Compound class: Synthetic organic
Comment: Methoxamine is an brain-penetrant α1-adrenoceptor agonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 64.71
Molecular weight 211.12
XLogP 0.83
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc(c(c1)C(C(N)C)O)OC
Isomeric SMILES COc1ccc(c(c1)C(C(N)C)O)OC
InChI InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3
InChI Key WJAJPNHVVFWKKL-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol
International Nonproprietary Names Click here for help
INN number INN
209 methoxamine
Synonyms Click here for help
2,5-dimethoxynorephedrine
Database Links Click here for help
BindingDB Ligand 50026777
CAS Registry No. 390-28-3 (source: Scifinder)
ChEBI CHEBI:6839
ChEMBL Ligand CHEMBL524
DrugBank Ligand DB00723
DrugCentral Ligand 1753
GtoPdb PubChem SID 135650587
PubChem CID 6082
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Wikipedia Methoxamine