carvedilol   

GtoPdb Ligand ID: 551

Synonyms: Coreg® | DQ 2466 | Eucardic® | SKF 105517
carvedilol is an approved drug (FDA (1995))
Compound class: Synthetic organic
Comment: Carvedilol is a non-selective β blocker
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 75.74
Molecular weight 406.19
XLogP 3.76
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O
Isomeric SMILES COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O
InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
InChI Key OGHNVEJMJSYVRP-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1995))
IUPAC Name
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
International Nonproprietary Names
INN number INN
5333 carvedilol
Synonyms
Coreg® | DQ 2466 | Eucardic® | SKF 105517
Database Links
BindingDB Ligand 25759
CAS Registry No. 72956-09-3
ChEBI CHEBI:3441
ChEMBL Ligand CHEMBL723
DrugBank Ligand DB01136
DrugCentral Ligand 522
GtoPdb PubChem SID 135650057
PubChem CID 2585
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Wikipedia Carvedilol

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Tocris
Carvedilol
Cat. No. 2685