Vonoprazan Fumarate[富马酸沃诺拉赞]

881681-01-2

CAS Name

5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine (2E)-2-butenedioate (1:1)

Molecular Formula

C₁₇H₁₆FN₃O₂S.C₄H₄O₄

Compound Properties

• Melting Point (1)

  201-203 °C

Source(s)

• (1) Arikawa, Yasuyoshi; Journal of Medicinal Chemistry, (2012), 55(9), 4446-4456, CAplus

Other Names and Identifiers

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

InChIKey=ROGSHYHKHPCCJW-WLHGVMLRSA-N

SMILES

S(=O)(=O)(N1C(=CC(CNC)=C1)C2=C(F)C=CC=C2)C=3C=CC=NC3.C(=C/C(O)=O)\C(O)=O

Canonical SMILES

O=C(O)C=CC(=O)O.O=S(=O)(C=1C=NC=CC1)N2C=C(C=C2C=3C=CC=CC3F)CNC

Other Names for this Substance

Deleted or Replaced CAS Registry Numbers

1260141-27-2