dobutamine   Click here for help

GtoPdb Ligand ID: 535

Synonyms: dobutamine hydrochloride | Dobutrex® | Inotrex®
Approved drug
dobutamine is an approved drug (FDA (1978))
Compound class: Synthetic organic
Comment: Dobutamine is a β-adrenergic receptor agonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 4
Rotatable bonds 7
Topological polar surface area 72.72
Molecular weight 301.17
XLogP 3.32
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O
Isomeric SMILES CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O
InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3
InChI Key JRWZLRBJNMZMFE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1978))
IUPAC Name Click here for help
4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol
International Nonproprietary Names Click here for help
INN number INN
3340 dobutamine
Synonyms Click here for help
dobutamine hydrochloride | Dobutrex® | Inotrex®
Database Links Click here for help
BindingDB Ligand 50325274
CAS Registry No. 52663-81-7
ChEBI CHEBI:184505
ChEMBL Ligand CHEMBL926
DrugBank Ligand DB00841
DrugCentral Ligand 937
GtoPdb PubChem SID 135650199
PubChem CID 36811
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Wikipedia Dobutamine