clenbuterol   Click here for help

GtoPdb Ligand ID: 12582

Synonyms: NAB 365 | NAB-365 | Planipart® | Spiropent®
Compound class: Synthetic organic
Comment: Clenbuterol is a β2-adrenoceptor agonist [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 58.28
Molecular weight 277.19
XLogP 1.64
No. Lipinski's rules broken 0
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Canonical SMILES CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O
Isomeric SMILES CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O
InChI InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
3264 clenbuterol
Synonyms Click here for help
NAB 365 | NAB-365 | Planipart® | Spiropent®
Database Links Click here for help
Specialist databases
GPCRdb Ligand clenbuterol
Other databases
BindingDB Ligand 27958
CAS Registry No. 37148-27-9 (source: WHO INN record)
ChEMBL Ligand CHEMBL49080
DrugBank Ligand DB01407
GtoPdb PubChem SID 479821372
PubChem CID 2783
Search Google for chemical match using the InChIKey STJMRWALKKWQGH-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey STJMRWALKKWQGH-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey STJMRWALKKWQGH-UHFFFAOYSA-N