MetaADEDB 2.0 @ LMMD
bretazenil
(LWUDDYHYYNNIQI-ZDUSSCGKSA-N)
Structure
SMILES
O=C(c1ncn2c1[C@@H]1CCCN1C(=O)c1c2cccc1Br)OC(C)(C)C
Molecular Formula:
C19H20BrN3O3
Molecular Weight:
418.284
Log P:
3.8187
Hydrogen Bond Acceptor:
6
Hydrogen Bond Donor:
0
TPSA:
64.43
CAS Number(s):
84379-13-5
Synonym(s)
1.
bretazenil
2.
Ro 16-6028
3.
Ro-16-6028
4.
t-butyl-8-bromo-11,12,13,13a-tetrahydro-9-oxo-9H-imidazo(1,5-a)-pyrrolo(2,1-c)(1,4)benzodiazepine-1-carboxylate
External Link(s)
MeSHC054626
PubChem Compound107926
BindingDB50083908
CHEMBLCHEMBL366947
IUPHAR/BPS Guide to PHARMACOLOGY4146
KEGGdr:D03155
Therapeutic Target DatabaseD0B3LP
ZINC597316
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Substance Withdrawal Syndrome1327709CTD
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