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Name:Bis-huperzine B 5h
PubChem ID:23645348
Pathway:Show KEGG pathways
InChI:InChI=1S/C52H76N6O4/c1-37-31-39-33-45-43(19-21-47(59)53-45)51(35-37)41(39)17-15-27-57(51)49(61)23-29-55(3)25-13-11-9-7-5-6-8-10-12-14-26-56(4)30-24-50(62)58-28-16-18-42-40-32-38(2)36-52(42,58)44-20-22-48(60)54-46(44)34-40/h19-22,31-32,39-42H,5-18,23-30,33-36H2,1-4H3,(H,53,59)(H,54,60)/t39?,40?,41?,42?,51-,52-/m1/s1
SMILES:CN(CCC(=O)N1CCC[C@H]2[C@]31CC(=CC2Cc1c3ccc(=O)[nH]1)C)CCCCCCCCCCCCN(CCC(=O)N1CCC[C@H]2[C@]31CC(=CC2Cc1c3ccc(=O)[nH]1)C)C

Properties:
Formula:C52H76N6O4Atoms:62
Molecular Weight:849.198Rotatable Bonds:21
H-bond Acceptors:8H-bond Donors:2
logP:8.0964
Targets:
NameUniprot IDSourceReferencesInteraction
AcetylcholinesteraseACES_RATBindingDB-shows
Synonyms:
()-oxazepam hemisuccinate sodium salt
Bis(20)-Huperzine B
Bis-huperzine B 5h
CHEMBL368897