Avitriptan

CAS Registry Number®

151140-96-4
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CAS Name

Avitriptan

Molecular Formula

C22H30N6O3S

Molecular Mass

458.58

Cite this Page

Avitriptan.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=151140-96-4 (retrieved 2024-04-25) (CAS RN: 151140-96-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    173-174 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H30N6O3S/c1-23-32(29,30)15-17-5-6-20-19(12-17)18(13-25-20)4-3-7-27-8-10-28(11-9-27)22-21(31-2)14-24-16-26-22/h5-6,12-14,16,23,25H,3-4,7-11,15H2,1-2H3

InChIKey

InChIKey=WRZVGHXUPBWIOO-UHFFFAOYSA-N

SMILES

C(CCN1CCN(CC1)C=2C(OC)=CN=CN2)C=3C=4C(NC3)=CC=C(CS(NC)(=O)=O)C4

Canonical SMILES

O=S(=O)(NC)CC=1C=CC=2NC=C(C2C1)CCCN3CCN(C=4N=CN=CC4OC)CC3

Other Names for this Substance

  • 1H-Indole-5-methanesulfonamide, 3-[3-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-N-methyl-
  • 3-[3-[4-(5-Methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-N-methyl-1H-indole-5-methanesulfonamide
  • Avitriptan

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