Simetride

CAS Registry Number®

154-82-5

CAS Name

Simetride

Molecular Formula

C28H38N2O6

Molecular Mass

498.61

Cite this Page

Simetride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=154-82-5 (retrieved 2024-12-03) (CAS RN: 154-82-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    128-130 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C28H38N2O6/c1-5-7-21-9-11-23(25(17-21)33-3)35-19-27(31)29-13-15-30(16-14-29)28(32)20-36-24-12-10-22(8-6-2)18-26(24)34-4/h9-12,17-18H,5-8,13-16,19-20H2,1-4H3

InChIKey

InChIKey=IMOLVSPMDGCLMB-UHFFFAOYSA-N

SMILES

O(CC(=O)N1CCN(C(COC2=C(OC)C=C(CCC)C=C2)=O)CC1)C3=C(OC)C=C(CCC)C=C3

Canonical SMILES

O=C(N1CCN(C(=O)COC2=CC=C(C=C2OC)CCC)CC1)COC3=CC=C(C=C3OC)CCC

Other Names for this Substance

  • Ethanone, 1,1′-(1,4-piperazinediyl)bis[2-(2-methoxy-4-propylphenoxy)-
  • Piperazine, 1,4-bis[(2-methoxy-4-propylphenoxy)acetyl]-
  • 1,1′-(1,4-Piperazinediyl)bis[2-(2-methoxy-4-propylphenoxy)ethanone]
  • 1,4-Bis[(2-methoxy-4-propylphenoxy)acetyl]piperazine
  • Simetride

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