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Drug Details

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Name:2-ketobenzothiazole 77
PubChem ID:9831158
Pathway:Show KEGG pathways
InChI:InChI=1S/C31H35N7O6S2/c32-31(33)34-16-6-12-22(27(40)29-36-21-11-3-4-14-25(21)45-29)35-28(41)24-13-7-17-38(24)30(42)23(18-39)37-46(43,44)26-15-5-9-19-8-1-2-10-20(19)26/h1-5,8-11,14-15,22-24,37,39H,6-7,12-13,16-18H2,(H,35,41)(H4,32,33,34)/t22-,23-,24-/m0/s1
SMILES:OC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)c1nc2c(s1)cccc2)CCCN=C(N)N)NS(=O)(=O)c1cccc2c1cccc2

Properties:
Formula:C31H35N7O6S2Atoms:46
Molecular Weight:665.783Rotatable Bonds:15
H-bond Acceptors:14H-bond Donors:5
logP:4.7021
Targets:
Synonyms:
()-oxazepam hemisuccinate sodium salt
2-ketobenzothiazole 77
CHEMBL361379
CID 9831158
CID9831158