AG0037FK

283173-50-2 | 6H-Pyrrolo[4,3,2-ef][2]benzazepin-6-one,8-fluoro-1,3,4,5-tetrahydro-2-[4-[(methylamino)methyl]phenyl]-

AG0037FK

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CAS Number	283173-50-2
Catalog Number	AG0037FK(AGN-PC-0R3V81)
Chemical Name	6H-Pyrrolo[4,3,2-ef][2]benzazepin-6-one,8-fluoro-1,3,4,5-tetrahydro-2-[4-[(methylamino)methyl]phenyl]-
IUPAC Name	6-fluoro-2-[4-(methylaminomethyl)phenyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
InChI	InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)
InChI Key	HMABYWSNWIZPAG-UHFFFAOYSA-N
MDL Number	MFCD11977252
Molecular Formula	C19H18FN3O
Molecular Weight	323.3641
SMILES	CNCc1ccc(cc1)c1[nH]c2c3c1CCNC(=O)c3cc(c2)F
UNII	8237F3U7EH
Synonyms	AG 014699, AG-014699, AG014699, PF-01367338, rucaparib, RUCAPARIB, 283173-50-2, Rubraca, AG-14447, Rucaparib (free base), UNII-8237F3U7EH, 8237F3U7EH, AK317822, 6H-Pyrrolo[4,3,2-ef][2]benzazepin-6-one,8-fluoro-1,3,4,5-tetrahydro-2-[4-[(methylamino)methyl]phenyl]-, 8-Fluoro-1,3,4,5-tetrahydro-2-[4-[(methylamino)methyl]phenyl]-6H-pyrrolo[4,3,2-ef][2]benzazepin-6-one, 8-FLUORO-2-(4-((METHYLAMINO)METHYL)PHENYL)-4,5-DIHYDRO-1H-AZEPINO[5,4,3-CD]INDOL-6(3H)-ONE, 8-fluoro-2-(4-methylaminomethyl-phenyl)-1,3,4,5-tetrahydro-azepino[5,4,3-cd]indol-6-one, 8-Fluoro-2-(4-((methylamino)methyl)phenyl)-1,3,4,5-tetrahydro-6H-azepino(5,4,3-cd)indol-6-one, 8-fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one, Rucaparib [USAN:INN], AG 014699, PF 01367338, 8-Fluoro-2-[4-[(methylamino)methyl]phenyl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one, RPB, Kinome_3180, Tube725, Rucaparib (USAN/INN), Rucaparib(AG-014447), SCHEMBL844585, GTPL7736, CHEMBL1173055, CHEBI:94311, CTK4G1217, ZINC25958, DTXSID10182563, CHEBI:134689, HMABYWSNWIZPAG-UHFFFAOYSA-N, BCP07633, EX-A2700, BDBM50446130, HY-10617A, AKOS015898427, AG14447, CS-2785, DB12332, SB16538, NCGC00263173-01, NCGC00263173-03, NCGC00263173-13, 6H-Azepino(5,4,3-cd)indol-6-one, 8-fluoro-1,3,4,5-tetrahydro-2-(4-((methylamino)methyl)phenyl)-, 6H-Pyrrolo(4,3,2-ef)(2)benzazepin-6-one, 8-fluoro-1,3,4,5-tetrahydro-2-(4-((methylamino)methyl)phenyl)-, AC-24390, FT-0696622, A14182, D10079, Rucaparib; AG 014699; PF-01367338, Z-3241, I10-0690, BRD-K88560311-011-01-4, 6-fluoro-2-[4-(methylaminomethyl)phenyl]-3,10-diazatricyclo[6.4.1.0^{4,13]trideca-1,4,6,8(13)-tetraen-9-one, 8-FLUOR-2-{4-[(METHYLAMINO)METHYL]FENYL}-1,3,4,5-TETRAHYDRO-6HAZEPINO[5,4,3-CD]INDOOL-6-ON, Rucaparib camsylate, Rucaparib phosphate, Rucaparib [INN], rucaparib camphorsulfonate, D01SHZ, AG014699, AG-014699, CO-338, PF-01367338, PF-1367338-BW, CID9931954, CID 9931954, PF01367338, AG-14699, A8893, 6H-Pyrrolo[4,3,2-ef][2]benzazepin-6-one, 8-fluoro-1,3,4,5-tetrahydro-2-[4-[(methylamino)methyl]phenyl]-,

Complexity	466
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	323.143g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	323.371g/mol
Monoisotopic Mass	323.143g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	56.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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