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

CAS Registry Number®

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

Cite this Page

5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine (2E)-2-butenedioate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1260141-27-2 (retrieved 2024-11-25) (CAS RN: 881681-01-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    201-203 °C

Source(s)

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

  • 1H-Pyrrole-3-methanamine, 5-(2-fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-, (2E)-2-butenedioate (1:1)
  • 5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine (2E)-2-butenedioate (1:1)
  • TAK 438 monofumarate
  • TAK 438
  • Vocinti

View All

Deleted or Replaced CAS Registry Numbers

1260141-27-2

CAS INSIGHTSTM
Hourglass and a clock