AG-014699

CAS No.
459868-92-9
CCD No.
CCD03281965
Formula
C19 H18 F N3 O . H3 O4 P
MolWeight
421.363

Basic Information

Product Name: AG-014699
CAS: 459868-92-9
English Synonyms: 8-FLUORO-2-(4-METHYLAMINOMETHYL-PHENYL)-1,3,4,5-TETRAHYDRO-AZEPINO[5,4,3-CD]INDOL-6-ONE PHOSPHATE ; 8-FLUORO-1,3,4,5-TETRAHYDRO-2-[4-[(METHYLAMINO)METHYL]PHENYL]-6H-PYRROLO[4,3,2-EF][2]BENZAZEPIN-6-ONE PHOSPHATE ; RUCAPARIB (AG-014699,PF-01367338) ; 6H-PYRROLO[4,3,2-EF][2]BENZAZEPIN-6-ONE, 8-FLUORO-1,3,4,5-TETRAHYDRO-2-[4-[(METHYLAMINO)METHYL]PHENYL]-, PHOSPHATE ; 6-FLUORO-2-(4-[(METHYLAMINO)METHYL]PHENYL)-3,10-DIAZATRICYCLO[6.4.1.0(4,13)]TRIDECA-1,4,6,8(13)-TETRAEN-9-ONE, PHOSPHORIC ACID ; AG-014699 ; RUCAPARIB ; RUCAPARIB PHOSPHATE
MDL Number.: MFCD17010269
H bond acceptor: 4
H bond donor: 3
Smile: CNCc1ccc(cc1)c2c3c4c(cc(cc4[nH]2)F)C(=O)NCC3.OP(=O)(O)O
InChi: InChI=1S/C19H18FN3O.H3O4P/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;1-5(2,3)4/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24);(H3,1,2,3,4)
InChiKey: InChIKey=FCCGJTKEKXUBFZ-UHFFFAOYSA-N

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