prenalterol   Click here for help

GtoPdb Ligand ID: 537

Synonyms: CGP 7760B
Compound class: Synthetic organic
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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 61.72
Molecular weight 225.14
XLogP 1.36
No. Lipinski's rules broken 0
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Canonical SMILES OC(COc1ccc(cc1)O)CNC(C)C
Isomeric SMILES O[C@H](COc1ccc(cc1)O)CNC(C)C
InChI InChI=1S/C12H19NO3/c1-9(2)13-7-11(15)8-16-12-5-3-10(14)4-6-12/h3-6,9,11,13-15H,7-8H2,1-2H3/t11-/m0/s1
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
4121 prenalterol
Synonyms Click here for help
CGP 7760B
Database Links Click here for help
Specialist databases
GPCRdb Ligand prenalterol
Other databases
CAS Registry No. 57526-81-5 (source: Scifinder)
ChEMBL Ligand CHEMBL1160714
DrugCentral Ligand 2258
GtoPdb PubChem SID 135650853
PubChem CID 42396
Search Google for chemical match using the InChIKey ADUKCCWBEDSMEB-NSHDSACASA-N
Search Google for chemicals with the same backbone ADUKCCWBEDSMEB
Search PubMed clinical trials prenalterol
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UniChem Compound Search for chemical match using the InChIKey ADUKCCWBEDSMEB-NSHDSACASA-N
UniChem Connectivity Search for chemical match using the InChIKey ADUKCCWBEDSMEB-NSHDSACASA-N
Wikipedia Prenalterol