metipranolol   Click here for help

GtoPdb Ligand ID: 7239

Synonyms: BM-01004 | Optipranolol® | VUAB-6453 | VUAB6453
Approved drug
metipranolol is an approved drug (FDA (1989))
Compound class: Synthetic organic
Comment: Metipranolol is a β-blocker. The drug's active metabolite is desacetylmetipranolol (CHEMBL1201363).
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 67.79
Molecular weight 309.19
XLogP 2.23
No. Lipinski's rules broken 0
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Canonical SMILES OC(COc1cc(C)c(c(c1C)C)OC(=O)C)CNC(C)C
Isomeric SMILES OC(COc1cc(C)c(c(c1C)C)OC(=O)C)CNC(C)C
InChI InChI=1S/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1989))
IUPAC Name Click here for help
4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}-2,3,6-trimethylphenyl acetate
International Nonproprietary Names Click here for help
INN number INN
4372 metipranolol
Synonyms Click here for help
BM-01004 | Optipranolol® | VUAB-6453 | VUAB6453
Database Links Click here for help
CAS Registry No. 22664-55-7
ChEMBL Ligand CHEMBL1291
DrugBank Ligand DB01214
DrugCentral Ligand 1779
GtoPdb PubChem SID 178103813
PubChem CID 31477
Search Google for chemical match using the InChIKey BQIPXWYNLPYNHW-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey BQIPXWYNLPYNHW-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey BQIPXWYNLPYNHW-UHFFFAOYSA-N
Wikipedia Metipranolol