Bedaquiline (TMC-207)

About This Item

Molecular Formula	C₃₂H₃₁BrN₂O₂
CAS Number	843663-66-1

FC-0899194

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Properties

Chemical Identifiers

IUPAC Name	(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
SMILES	CN(C)CCC(C1=CC=CC2=CC=CC=C21)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O
InChI Key	QUIJNHUBAXPXFS-XLJNKUFUSA-N

Physical Properties

Boiling Point	702.7±60.0 °C at 760 mmHg
Melting Point	118 °C
Flash Point	378.8±32.9 °C
Density	1.3±0.1 g/cm3

Safety Information

Hazard Class

Danger

Flash Point

378.8±32.9 °C

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.