BEDORADRINE SULFATE

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Synonyms
Status
Molecule Category Salt-form
UNII P875C0DV2V
EPA CompTox DTXSID40433338

Structure

InChI Key VPCOODFYDJWLHD-YMZXMBPUSA-N
Smiles CN(C)C(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1ccc(O)c(CCO)c1)CC2.CN(C)C(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1ccc(O)c(CCO)c1)CC2.O=S(=O)(O)O
InChI
InChI=1S/2C24H32N2O5.H2O4S/c2*1-26(2)24(30)15-31-21-7-4-16-3-6-20(12-19(16)13-21)25-14-23(29)17-5-8-22(28)18(11-17)9-10-27;1-5(2,3)4/h2*4-5,7-8,11,13,20,23,25,27-29H,3,6,9-10,12,14-15H2,1-2H3;(H2,1,2,3,4)/t2*20-,23-;/m00./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C48H66N4O14S
Molecular Weight 955.14
AlogP 1.57
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 102.26
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Beta-2 adrenergic receptor agonist AGONIST PubMed Other

Target Conservation

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

Cross References

Resources Reference
ChEMBL CHEMBL2218893
FDA SRS P875C0DV2V
PubChem 9963056
SureChEMBL SCHEMBL678131
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