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
SMILES / InChI / InChIKey
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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
InChI Key ADUKCCWBEDSMEB-NSHDSACASA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
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
CAS Registry No. 57526-81-5 (source: Scifinder)
ChEMBL Ligand CHEMBL1160714
DrugCentral Ligand 2258
GtoPdb PubChem SID 135650853
PubChem CID 42396
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Wikipedia Prenalterol