carazolol   Click here for help

GtoPdb Ligand ID: 569

Synonyms: BM-51052 | conducton | corazolol
Approved drug
carazolol is an approved drug
Compound class: Synthetic organic
Comment: The INN-assigned compound carazolol is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemisty and represents the mixture. The two enantiomers are represented on PubChem by CID 13023332 and CID 13023331. Please note that the PDB entry for this ligand linked to above specifies the S isomer (CID 13023332).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 57.28
Molecular weight 298.17
XLogP 3.27
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C
Isomeric SMILES OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C
InChI InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3
InChI Key BQXQGZPYHWWCEB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
International Nonproprietary Names Click here for help
INN number INN
4036 carazolol
Synonyms Click here for help
BM-51052 | conducton | corazolol
Database Links Click here for help
BindingDB Ligand 50027663
CAS Registry No. 51997-43-4
ChEMBL Ligand CHEMBL324665
DrugCentral Ligand 487
GtoPdb PubChem SID 135650054
PubChem CID 71739
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Search UniChem for chemical match using the InChIKey BQXQGZPYHWWCEB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BQXQGZPYHWWCEB
SynPHARM 80268 (in complex with β2-adrenoceptor)
Wikipedia Carazolol