Molecular Identity
Terbutaline
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol
PubChem CID: 5403
Terbutaline is a member of the class of phenylethanolamines that is catechol substituted at position 5 by a 2-(tert-butylamino)-1-hydroxyethyl group. It has a role as a beta-adrenergic agonist, a bronchodilator agent, a sympathomimetic agent, a hypoglycemic agent, an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an anti-asthmatic drug and a tocolytic agent. It is a member of phenylethanolamines and a member of resorcinols.
2D Structure
Properties
C12H19NO3
Molecular Formula
225.28
Molecular Weight
g/mol
225.1365
Exact Mass
Da
0.9
XLogP
Drug-like (Lipinski: < 5)
72.7
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
4
H-Bond Acceptors
205
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)OIsomeric SMILES
SMILES: CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)OSynonyms(20)
terbutaline23031-25-6TerbutalinTerbutalinaTerbutalinum5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diolAsthmasian5-(2-(tert-Butylamino)-1-hydroxyethyl)benzene-1,3-diol1,3-Benzenediol, 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-N8ONU3L3PG5-(2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)-1,3-BENZENEDIOLCHEBI:9449DTXSID70213101,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,3-benzenediol
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Terbutaline
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