BEDORADRINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4EAR229231

Structure
InChI Key OANCEOSLKSTLTA-REWPJTCUSA-N
Smile CN(C)C(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1ccc(O)c(CCO)c1)CC2
InChI
InChI=1S/C24H32N2O5/c1-26(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/h4-5,7-8,11,13,20,23,25,27-29H,3,6,9-10,12,14-15H2,1-2H3/t20-,23-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H32N2O5
Molecular Weight 428.53
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

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2111083
DrugBank DB05590
EPA CompTox DTXSID60173123
FDA SRS 4EAR229231
PubChem 9963057
SureChEMBL SCHEMBL3828780
ZINC ZINC000000584203
CONTENTS