Ipsapirone

CAS Registry Number®

95847-70-4
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CAS Name

Ipsapirone

Molecular Formula

C19H23N5O3S

Molecular Mass

401.48

Cite this Page

Ipsapirone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=95847-70-4 (retrieved 2024-04-19) (CAS RN: 95847-70-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    137-138 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2

InChIKey

InChIKey=TZJUVVIWVWFLCD-UHFFFAOYSA-N

SMILES

O=S1(=O)C=2C(C(=O)N1CCCCN3CCN(CC3)C=4N=CC=CN4)=CC=CC2

Canonical SMILES

O=C1C=2C=CC=CC2S(=O)(=O)N1CCCCN3CCN(C4=NC=CC=N4)CC3

Other Names for this Substance

  • 1,2-Benzisothiazol-3(2H)-one, 2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-, 1,1-dioxide
  • Ipsapirone

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