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Name:Balanol Analog 42
PubChem ID:5327945
Pathway:Show KEGG pathways
InChI:InChI=1S/C35H32N2O12S/c1-19-7-13-23(14-8-19)50(47,48)37-15-3-6-29(25(18-37)36-33(43)20-9-11-22(38)12-10-20)49-35(46)21-16-27(40)31(28(41)17-21)32(42)30-24(34(44)45)4-2-5-26(30)39/h2,4-5,7-14,16-17,25,29,38-41H,3,6,15,18H2,1H3,(H,36,43)(H,44,45)/t25-,29-/m1/s1
SMILES:Oc1ccc(cc1)C(=O)N[C@@H]1CN(CCC[C@H]1OC(=O)c1cc(O)c(c(c1)O)C(=O)c1c(O)cccc1C(=O)O)S(=O)(=O)c1ccc(cc1)C

Properties:
Formula:C35H32N2O12SAtoms:50
Molecular Weight:704.7Rotatable Bonds:11
H-bond Acceptors:14H-bond Donors:6
logP:4.9649
Targets:
Synonyms:
()-oxazepam hemisuccinate sodium salt
2-[2,6-dihydroxy-4-[(3R,4R)-3-[(4-hydroxybenzoyl)amino]-1-(4-methylphenyl)
AC1NS3F2
Balanol Analog 42
CHEMBL146846
CID5327945