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rel-(+)-(2E,4E)-1-[(2R,5S)-2,4,5-Trimethyl-1-piperazinyl]-2,4-hexadien-1-one

CAS Registry Number®

24779-38-2
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CAS Name

rel-(+)-(2E,4E)-1-[(2R,5S)-2,4,5-Trimethyl-1-piperazinyl]-2,4-hexadien-1-one

Molecular Formula

C13H22N2O

Molecular Mass

222.33

Cite this Page

rel-(+)-(2E,4E)-1-[(2R,5S)-2,4,5-Trimethyl-1-piperazinyl]-2,4-hexadien-1-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=24779-38-2 (retrieved 2024-09-20) (CAS RN: 24779-38-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C13H22N2O/c1-5-6-7-8-13(16)15-10-11(2)14(4)9-12(15)3/h5-8,11-12H,9-10H2,1-4H3/b6-5+,8-7+/t11-,12+/s2

InChIKey

InChIKey=DVCNHRTYSUTLOS-KNNRPPFRNA-N

SMILES

C(/C=C/C=C/C)(=O)N1[C@H](C)CN(C)[C@@H](C)C1

Canonical SMILES

O=C(C=CC=CC)N1CC(N(C)CC1C)C

Other Names for this Substance

  • 2,4-Hexadien-1-one, 1-[(2R,5S)-2,4,5-trimethyl-1-piperazinyl]-, (2E,4E)-rel-(+)-
  • Nigragilline
  • Piperazine, 1,2,5-trimethyl-4-(1-oxo-2,4-hexadienyl)-, [2α,4(E,E),5β]-(+)-
  • Piperazine, 1,2,5-trimethyl-4-[(2E,4E)-1-oxo-2,4-hexadienyl]-, (2R,5S)-rel-(+)-
  • rel-(+)-(2E,4E)-1-[(2R,5S)-2,4,5-Trimethyl-1-piperazinyl]-2,4-hexadien-1-one

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