Vonoprazan

Catalog Number	ACM881681001
CAS	881681-00-1
Structure
IUPAC Name	1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
Synonyms	Vonoprazan;881681-00-1;TAK-438 free base;Vonoprazan free base;TAK-438;UNII-1R5L3J156G;881681-00-1 (free base);1R5L3J156G;1-(5-(2-Fluorophenyl)-1-(pyridine-3-sulfonyl)-1H-pyrrol-3-yl)-N-methylmethanamine;1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine;1-(5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl)-N-methylmethanamine;1-[5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1h-pyrrol-3-yl]-n-methylmethanamine;1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonyl-pyrrol-3-yl]-~{N}-methyl-methanamine;Vonoprazan [INN];1260141-27-2;Vonoprazan [USAN];Vonoprazan (USAN/INN);TAK-438 (free base);SCHEMBL194487;CHEMBL2079130;DTXSID20236869;CHEBI:136048;BDBM394392;BCP13240;EX-A4002;WHO 9535;ZINC34842823;US10308605, Example 166;CS-5555;DB11739;QC-7250;SB16719;1H-pyrrole-3-methanamine, 5-(2-fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-;NCGC00386236-02;NCGC00386236-05;TAK-438;TAK 438;TAK438;AK548051;DS-19419;HY-100007;D11784;Q27887191;(5-(2-FLUOROPHENYL)-1-(PYRIDIN-3-YLSULFONYL)-1H-PYRROL-3-YL)-N-METHYLMETHANAMINE;4-(Methylaminomethyl)-2-(2-fluorophenyl)-1H-pyrrole-1-yl(3-pyridyl) sulfone;5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine;HKT
Molecular Weight	345.4g/mol
Molecular Formula	C17H16FN3O2S
Canonical SMILES	CNCC1=CN(C(=C1)C2=CC=CC=C2F)S(=O)(=O)C3=CN=CC=C3
InChI	InChI=1S/C17H16FN3O2S/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14/h2-9,11-12,19H,10H2,1H3
InChI Key	BFDBKMOZYNOTPK-UHFFFAOYSA-N
Complexity	511
Covalently-Bonded Unit Count	1
Exact Mass	345.09472610g/mol
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	5
Monoisotopic Mass	345.09472610g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	72.4Å²
UNII	1R5L3J156G
X Log P3	2

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