Bedaquiline Fumarate

Bedaquiline Fumarate is an anti-tuberculosis drug.

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Catalog Number API0232614
Alternative Name(s) Bedaquiline fumarate; 845533-86-0; Sirturo
Research Area API
Molecular Formula C36H35BrN2O6
CAS# 845533-86-0
Inchi InChI=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
Inchi Key ZLVSPMRFRHMMOY-WWCCMVHESA-N
SMILES CN(C)CC[C@@](C1=CC=CC2=CC=CC=C21)([C@H](C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O.C(=C/C(=O)O)\C(=O)O
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