5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine (2E)-2-butenedioate (1:1)
CAS Registry Number®
881681-01-2
No image available.
CAS Name
5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine (2E)-2-butenedioate (1:1)Molecular Formula
C17H16FN3O2S.C4H4O4Cite 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/ChemicalDetail.aspx?ref=1260141-27-2 (retrieved ) (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
Deleted or Replaced CAS Registry Numbers
1260141-27-2
