AG01FO0S

Name: Bedaquiline Fumarate Impurity 15
Brand: Angene Chemical
SKU: AG01FO0S

861709-47-9 | Bedaquiline Fumarate Impurity 15

AG01FO0S

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CAS Number	861709-47-9
Catalog Number	AG01FO0S(AGN-PC-3H5NLB)
Chemical Name	Bedaquiline Fumarate Impurity 15
IUPAC Name	(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(methylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
InChI	InChI=1S/C31H29BrN2O2/c1-33-18-17-31(35,27-14-8-12-21-9-6-7-13-25(21)27)29(22-10-4-3-5-11-22)26-20-23-19-24(32)15-16-28(23)34-30(26)36-2/h3-16,19-20,29,33,35H,17-18H2,1-2H3/t29-,31-/m1/s1
InChI Key	GOBOQBZOZDRXCQ-BVRKHOPBSA-N
Molecular Formula	C31H29BrN2O2
Molecular Weight	541.4782
SMILES	[C@]([C@@H](C=1C(OC)=NC2=C(C1)C=C(Br)C=C2)C3=CC=CC=C3)(CCNC)(O)C=4C5=C(C=CC4)C=CC=C5
UNII	W96L2O9I1E
Synonyms	N-Monodesmethyl bedaquiline, UNII-W96L2O9I1E, W96L2O9I1E, 861709-47-9, rac-N-Desmethyl Bedaquiline, 654654-76-9, SCHEMBL14520826, DTXSID80235434, R-207910-m, N-Desmethyl-bedaquiline D6,

Complexity	688
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	540.141g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	541.489g/mol
Monoisotopic Mass	540.141g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.7

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited