remimazolam   Click here for help

GtoPdb Ligand ID: 8442

Synonyms: Byfavo® | CNS-7056 | CNS7056
Approved drug
remimazolam is an approved drug (FDA (2020), EMA (2021))
Compound class: Synthetic organic
Comment: Remimazolam is a benzodiazepine type compound, that was developed as an ultra-short-acting sedative/anesthetic [3-4]. This compound combines the actions of the opioid analgesic remifentanil with that of the currently used sedative midazolam (GABAA receptor modulator). Remimazolam is proposed as a safer alternative to the current standard of care.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 68.85
Molecular weight 438.07
XLogP 4.55
No. Lipinski's rules broken 0
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Canonical SMILES COC(=O)CCC1N=C(c2ccccn2)c2c(n3c1nc(c3)C)ccc(c2)Br
Isomeric SMILES COC(=O)CC[C@@H]1N=C(c2ccccn2)c2c(n3c1nc(c3)C)ccc(c2)Br
InChI InChI=1S/C21H19BrN4O2/c1-13-12-26-18-8-6-14(22)11-15(18)20(16-5-3-4-10-23-16)25-17(21(26)24-13)7-9-19(27)28-2/h3-6,8,10-12,17H,7,9H2,1-2H3/t17-/m0/s1
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Molecular structure representations generated using Open Babel