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2169271-28-5

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2169271-28-5 Structure

2169271-28-5 Structure
IdentificationBack Directory
[Name]

(5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl) methanol
[CAS]

2169271-28-5
[Synonyms]

Vonoprazan-13
Vonoprazan-007
TAK438 Impurity 1
Vonoprazan Impuirty 10
1H-Pyrrole-3-methanol, 5-(2-fluorophenyl)-1-(3-pyridinylsulfonyl)-
1-[(2-chloro-3-pyridinyl)sulfonyl]-5-(2-fluorophenyl)-1H-Pyrrole-3-carboxaldehyde
Vonoprazan impurity 37/(5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl) methanol
[Molecular Formula]

C16H13FN2O3S
[MDL Number]

MFCD32644199
[MOL File]

2169271-28-5.mol
[Molecular Weight]

332.35
Chemical PropertiesBack Directory
[Boiling point ]

564.5±60.0 °C(Predicted)
[density ]

1.38±0.1 g/cm3(Predicted)
[pka]

13.89±0.10(Predicted)
[InChI]

InChI=1S/C16H13FN2O3S/c17-15-6-2-1-5-14(15)16-8-12(11-20)10-19(16)23(21,22)13-4-3-7-18-9-13/h1-10,20H,11H2
[InChIKey]

NKTNCHRTXGGZSQ-UHFFFAOYSA-N
[SMILES]

N1(S(C2=CC=CN=C2)(=O)=O)C(C2=CC=CC=C2F)=CC(CO)=C1
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