Talazoparib Tosylate
(11S,12R)-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one;4-methylbenzenesulfonic acid
Molecular Identity
Talazoparib Tosylate
(11S,12R)-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one;4-methylbenzenesulfonic acid
PubChem CID: 135565654
2D Structure
Properties
C26H22F2N6O4S
Molecular Formula
552.60
Molecular Weight
g/mol
552.1391
Exact Mass
Da
147
TPSA
May have limited oral absorption
3
H-Bond Donors
10
H-Bond Acceptors
861
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CN1C(=NC=N1)C2C(NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)FIsomeric SMILES
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)FSynonyms(20)
Talazoparib tosylate1373431-65-2BMN 673TSBMN-673TSUNII-02WK9U5NZC02WK9U5NZCTalzenna3H-Pyrido(4,3,2-de)phthalazin-3-one, 5-fluoro-8-(4-fluorophenyl)-2,7,8,9-tetrahydro-9-(1-methyl-1H-1,2,4-triazol-5-yl)-, (8S,9R)-, 4-methylbenzenesulfonate (1:1)(8S,9R)-5-Fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido(4,3,2-de)phthalazin-3-one MONO(4-methylbenzenesulfonate)(8S,9R)-5-Fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one mono(4-methylbenzenesulfonate)3H-Pyrido[4,3,2-de]phthalazin-3-one, 5-fluoro-8-(4-fluorophenyl)-2,7,8,9-tetrahydro-9-(1-methyl-1H-1,2,4-triazol-5-yl)-, (8S,9R)-, 4-methylbenzenesulfonate (1:1)RefChem:57303Talazoparib tosylate [USAN](8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one tosylateMFCD31657366
Data from PubChem (NCBI)
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