6-BROMO-ALPHA-[2-(DIMETHYLAMINO)ETHYL]-2-METHOXY-ALPHA-1-NAPHTHALENYL-BETA-PHENYL-3-QUINOLINEETHANOL

CAS No.
654653-81-3 ;843663-66-1
CCD No.
CCD02307285
Formula
C31 H29 Br N2 O
MolWeight
525.487

Basic Information

Product Name: 6-BROMO-ALPHA-[2-(DIMETHYLAMINO)ETHYL]-2-METHOXY-ALPHA-1-NAPHTHALENYL-BETA-PHENYL-3-QUINOLINEETHANOL
CAS: 654653-81-3 ;843663-66-1
English Synonyms: TMC-207 ; 6-BROMO-ALPHA-[2-(DIMETHYLAMINO)ETHYL]-2-METHOXY-ALPHA-1-NAPHTHALENYL-BETA-PHENYL-3-QUINOLINEETHANOL ; BEDAQUILINE
MDL Number.: MFCD14635354
H bond acceptor: 3
H bond donor: 1
Smile: CN(C)CC[C@@](c1cccc2c1cccc2)([C@H](c3ccccc3)c4cc5cc(ccc5nc4)Br)O
InChi: InChI=1S/C31H29BrN2O/c1-34(2)18-17-31(35,28-14-8-12-22-9-6-7-13-27(22)28)30(23-10-4-3-5-11-23)25-19-24-20-26(32)15-16-29(24)33-21-25/h3-16,19-21,30,35H,17-18H2,1-2H3/t30-,31-/m1/s1
InChiKey: InChIKey=CAZMLEZKNNXBTD-FIRIVFDPSA-N

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