Talazoparib

C₁₉H₁₄F₂N₆OCAS 1207456-01-6380.36 g/mol

Open in Covalent MOL file

Aryl halide Phenol Secondary amine

Properties

Molecular formula: C₁₉H₁₄F₂N₆O
Molar mass: 380.36 g/mol
Exact mass: 380.1197 Da
logP: 3.04Crippen estimate
Polar surface area: 88.8 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 2
Stereocentres: R, Sin SMILES atom order

Hazards

Danger

H341 Suspected of causing genetic defects100% of notifiers
H360 May damage fertility or the unborn child100% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P270, P280, P318, P319, P405, P501

Identifiers

CAS number

1207456-01-6

SMILES

Cn1ncnc1[C@H]1c2nnc(O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1

InChIKey

HWGQMRYQVZSGDQ-HZPDHXFCSA-N

InChI

InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

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)-
(8S,9R)-5-Fluoro-8-(4-fluorophenyl)-2,7,8,9-tetrahydro-9-(1-methyl-1H-1,2,4-triazol-5-yl)-3H-pyrido[4,3,2-de]phthalazin-3-one
BMN 673
Talzenna

Work with Talazoparib

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

PubChem CAS Common Chemistry NIST WebBook