Donitriptan

CAS Registry Number®

170912-52-4
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CAS Name

Donitriptan

Molecular Formula

C23H25N5O2

Molecular Mass

403.48

Cite this Page

Donitriptan.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=170912-52-4 (retrieved 2024-05-18) (CAS RN: 170912-52-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H25N5O2/c24-8-7-18-15-26-22-6-5-20(13-21(18)22)30-16-23(29)28-11-9-27(10-12-28)19-3-1-17(14-25)2-4-19/h1-6,13,15,26H,7-12,16,24H2

InChIKey

InChIKey=SOHCKWZVTCTQBG-UHFFFAOYSA-N

SMILES

C(CN)C=1C=2C(NC1)=CC=C(OCC(=O)N3CCN(CC3)C4=CC=C(C#N)C=C4)C2

Canonical SMILES

N#CC1=CC=C(C=C1)N2CCN(C(=O)COC=3C=CC=4NC=C(C4C3)CCN)CC2

Other Names for this Substance

  • Benzonitrile, 4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]-1-piperazinyl]-
  • Piperazine, 1-[[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]-4-(4-cyanophenyl)-
  • 4-[4-[2-[[3-(2-Aminoethyl)-1H-indol-5-yl]oxy]acetyl]-1-piperazinyl]benzonitrile
  • Donitriptan

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