(-)-bremazocine   Click here for help

GtoPdb Ligand ID: 1603

Compound class: Synthetic organic
Comment: One of the two enantiomers comprising the INN-assigned racemic compound bremazocine. Note that ChEMBL represents this compound with different stereochemistry with the entry CHEMBL1797687.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 43.7
Molecular weight 315.22
XLogP 3.29
No. Lipinski's rules broken 0
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Canonical SMILES CCC12CCN(C(C2(C)C)Cc2c1cc(O)cc2)CC1(O)CC1
Isomeric SMILES CC[C@]12CCN([C@@H](C2(C)C)Cc2c1cc(O)cc2)CC1(O)CC1
InChI InChI=1S/C20H29NO2/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3/t17-,20+/m1/s1
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
4849 bremazocine
Database Links Click here for help
Specialist databases
GPCRdb Ligand (-)-bremazocine
Other databases
CAS Registry No. 75684-07-0 (source: Scifinder)
GtoPdb PubChem SID 135650021
PubChem CID 443406
Search Google for chemical match using the InChIKey ZDXGFIXMPOUDFF-XLIONFOSSA-N
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UniChem Compound Search for chemical match using the InChIKey ZDXGFIXMPOUDFF-XLIONFOSSA-N
UniChem Connectivity Search for chemical match using the InChIKey ZDXGFIXMPOUDFF-XLIONFOSSA-N
Wikipedia Bremazocine