nadolol   Click here for help

GtoPdb Ligand ID: 554

Synonyms: Corgard® | corzide | SQ-11725
Approved drug
nadolol is an approved drug (FDA (1979))
Compound class: Synthetic organic
Comment: The approved drug nadolol consists of equimolar amounts of four stereoisomers, therefore structures shown on other sites may vary in the representation of the stereochemistry. The structure shown here is representative of one of these isomers.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 81.95
Molecular weight 309.19
XLogP 1.17
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C
Isomeric SMILES OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C
InChI InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1
InChI Key VWPOSFSPZNDTMJ-UCWKZMIHSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1979))
IUPAC Name Click here for help
(2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol
International Nonproprietary Names Click here for help
INN number INN
3875 nadolol
Synonyms Click here for help
Corgard® | corzide | SQ-11725
Database Links Click here for help
BindingDB Ligand 25766
CAS Registry No. 42200-33-9
ChEBI CHEBI:7444
ChEMBL Ligand CHEMBL649
DrugBank Ligand DB01203
GtoPdb PubChem SID 135650678
PubChem CID 39147
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Wikipedia Nadolol