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
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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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1978))
IUPAC Name Click here for help
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
Specialist databases
GPCRdb Ligand dobutamine
Other databases
BindingDB Ligand 50325274
CAS Registry No. 52663-81-7
ChEBI CHEBI:184505
DrugBank Ligand DB00841
DrugCentral Ligand 937
GtoPdb PubChem SID 135650199
PubChem CID 36811
Search Google for chemical match using the InChIKey JRWZLRBJNMZMFE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JRWZLRBJNMZMFE
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UniChem Compound Search for chemical match using the InChIKey JRWZLRBJNMZMFE-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey JRWZLRBJNMZMFE-UHFFFAOYSA-N
Wikipedia Dobutamine