pseudoephedrine   Click here for help

GtoPdb Ligand ID: 7286

Synonyms: pseudoephedrine hydrochloride | pseudophedrine sulphate | Sinutab® | Sudafed®
Approved drug
pseudoephedrine is an approved drug (FDA (1975))
Compound class: Synthetic organic
Comment: Pseudoephedrine is a decongestant, often contained as one of the active ingredients in fixed-mixture cold and flu medications.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 32.26
Molecular weight 165.12
XLogP 1.39
No. Lipinski's rules broken 0
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Canonical SMILES CNC(C(c1ccccc1)O)C
Isomeric SMILES CN[C@H]([C@H](c1ccccc1)O)C
InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1
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InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel