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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1975))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
1061 pseudoephedrine
Synonyms Click here for help
pseudoephedrine hydrochloride | pseudophedrine sulphate | Sinutab® | Sudafed®
Database Links Click here for help
CAS Registry No. 90-82-4
ChEMBL Ligand CHEMBL1590
DrugBank Ligand DB00852
DrugCentral Ligand 2326
GtoPdb PubChem SID 178103860
PubChem CID 7028
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UniChem Compound Search for chemical match using the InChIKey KWGRBVOPPLSCSI-WCBMZHEXSA-N
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Wikipedia Pseudoephedrine