BEDORADRINE SULFATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: P875C0DV2V

Structure
InChI Key VPCOODFYDJWLHD-YMZXMBPUSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 2 D001249 ClinicalTrials
Status Asthmaticus 2 D013224 ClinicalTrials
Pulmonary Disease, Chronic Obstructive 1 D029424 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2218893
EPA CompTox DTXSID40433338
FDA SRS P875C0DV2V
PubChem 9963056
SureChEMBL SCHEMBL678131
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