Vonoprazan fumarate

Key facts

CAS number

881681-01-2

Purity

>98%

Form

Solid

form

Molecular weight

461.5 Da

Molecular formula

C₂₁H₂₀FN₃O₆S

PubChem

45375887

Nature

Synthetic

Solubility

Soluble in DMSO

Biochemical name

Vonoprazan Fumarate

Biological description

Potassium-competitive acid blocker (P-CAB) that inhibits gastric H⁺/K⁺ATPase (IC₅₀ = 17 nM) but does not inhibit porcine Na+/K+ ATPase activity when used at a concentration of 10 μM.

Canonical smiles

CNCC1=CN(C(=C1)C2=CC=CC=C2F)S(=O)(=O)C3=CN=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric smiles

CNCC1=CN(C(=C1)C2=CC=CC=C2F)S(=O)(=O)C3=CN=CC=C3.C(=C/C(=O)O)\C(=O)O

InChi

InChI=1S/C17H16FN3O2S.C4H4O4/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;5-3(6)1-2-4(7)8/h2-9,11-12,19H,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChiKey

ROGSHYHKHPCCJW-WLHGVMLRSA-N

IUPAC Name

(E)-but-2-enedioic acid;1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine