(-)-bremazocine   

GtoPdb Ligand ID: 1603

Synonyms: ethyketazocine
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.
2D Structure
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Physico-chemical Properties
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
SMILES / InChI / InChIKey
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
InChI Key ZDXGFIXMPOUDFF-XLIONFOSSA-N
Classification
Compound class Synthetic organic
International Nonproprietary Names
INN number INN
4849 bremazocine
Synonyms
ethyketazocine
Database Links
CAS Registry No. 75684-07-0 (source: Scifinder)
GtoPdb PubChem SID 135650021
PubChem CID 443406
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Wikipedia Bremazocine