TERBUTALINE SULFATE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 576PU70Y8E
EPA CompTox DTXSID3045437
Parent Compound: TERBUTALINE

Structure

InChI Key KFVSLSTULZVNPG-UHFFFAOYSA-N
Smiles CC(C)(C)NCC(O)c1cc(O)cc(O)c1.CC(C)(C)NCC(O)c1cc(O)cc(O)c1.O=S(=O)(O)O
InChI
InChI=1S/2C12H19NO3.H2O4S/c2*1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8;1-5(2,3)4/h2*4-6,11,13-16H,7H2,1-3H3;(H2,1,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H40N2O10S
Molecular Weight 548.66
AlogP 1.52
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 72.72
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Mechanism of Action Action Reference
Beta-2 adrenergic receptor agonist AGONIST DailyMed

Target Conservation

Protein: Beta-2 adrenergic receptor
Description: Beta-2 adrenergic receptor
Organism : Homo sapiens
P07550 ENSG00000169252

Cross References

Resources Reference
ChEBI 9450
ChEMBL CHEMBL1315867
FDA SRS 576PU70Y8E
Guide to Pharmacology 560
KEGG C07129
PubChem 31620
SureChEMBL SCHEMBL26462
ZINC ZINC00002281
CONTENTS