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bedaquiline fumarate

PropertiesImageOccurences in reactions
MNX_IDMNXM152554Image of MNXM152554
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC36H35BrN2O6
charge0
mass670.16785
referencechebi:72295
InChIKeyZLVSPMRFRHMMOY-WWCCMVHESA-N
InChIInChI=1S/C32H31BrN2O2.C4H4O4/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3;5-3(6)1-2-4(7)8/h4-17,20-21,30,36H,18-19H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t30-,32-;/m1./s1
SMILESCOc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12.O=C(O)/C=C/C(=O)O
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 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:72295
chebi:72295 		bedaquiline fumarate
(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenylbutan-2-ol bis[(2Z)-but-2-enedioate]
6-bromo-3-[(1R,2S)-4-(dimethylammonio)-2-hydroxy-2-(1-naphthyl)-1-phenylbutyl]-2-methoxyquinolinium (2E)-but-2-enedioate
R403323
Sirturo
kegg.drug:D09873
keggD:D09873 		Bedaquiline fumarate (JAN/USAN)
Sirturo (TN)
keggD:M_D09873 secondary/obsolete/fantasy identifier