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Drug Details

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Name:alpha-ketothiazole analogue 21
PubChem ID:16098899
Pathway:Show KEGG pathways
InChI:InChI=1S/C29H42Cl2N8O4S/c1-16(2)13-21(38-28(43)36-15-17-8-9-18(30)19(31)14-17)24(41)39-23(29(3,4)5)25(42)37-20(7-6-10-35-27(32)33)22(40)26-34-11-12-44-26/h8-9,11-12,14,16,20-21,23H,6-7,10,13,15H2,1-5H3,(H,37,42)(H,39,41)(H4,32,33,35)(H2,36,38,43)/t20-,21-,23+/m0/s1
SMILES:CC(C[C@@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@H](C(=O)c1nccs1)CCCN=C(N)N)NC(=O)NCc1ccc(c(c1)Cl)Cl)C

Properties:
Formula:C29H42Cl2N8O4SAtoms:44
Molecular Weight:669.666Rotatable Bonds:20
H-bond Acceptors:13H-bond Donors:6
logP:6.5802
Targets:
Synonyms:
()-oxazepam hemisuccinate sodium salt
alpha-ketothiazole analogue 21
CHEMBL265598