(-)-bremazocine   Click here for help

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