minoxidil   Click here for help

GtoPdb Ligand ID: 4254

Synonyms: Rogaine®
Approved drug PDB Ligand
minoxidil is an approved drug (FDA (1979))
Compound class: Synthetic organic
Comment: The structure shown here is the same as the INN-assigned structure for this compound. The charges represent the movement of electrons towards the oxygen atom. Our representation of the structure is different to that shown on PubChem, where the molecule is shown without the charges.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 95.11
Molecular weight 209.13
XLogP 2.9
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Nc1cc(nc([n+]1[O-])N)N1CCCCC1
Isomeric SMILES Nc1cc(nc([n+]1[O-])N)N1CCCCC1
InChI InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)
InChI Key ZFMITUMMTDLWHR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1979))
IUPAC Name Click here for help
2,6-diamino-4-(piperidin-1-yl)pyrimidin-1-ium-1-olate
International Nonproprietary Names Click here for help
INN number INN
2987 minoxidil
Synonyms Click here for help
Rogaine®
Database Links Click here for help
CAS Registry No. 38304-91-5 (source: Scifinder)
ChEMBL Ligand CHEMBL802
DrugBank Ligand DB00350
DrugCentral Ligand 1814
GtoPdb PubChem SID 178101071
PubChem CID 4201
RCSB PDB Ligand MXD
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UniChem Compound Search for chemical match using the InChIKey ZFMITUMMTDLWHR-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ZFMITUMMTDLWHR-UHFFFAOYSA-N
Wikipedia Minoxidil

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Tocris
Minoxidil (links to external site)
Cat. No. 0583