Seratrodast

CAS Registry Number®

112665-43-7

CAS Name

Seratrodast

Molecular Formula

C22H26O4

Molecular Mass

354.44

Cite this Page

Seratrodast.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=103186-19-2 (retrieved 2024-11-08) (CAS RN: 112665-43-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    128-129 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-11,18H,5,8-9,12-13H2,1-3H3,(H,23,24)

InChIKey

InChIKey=ZBVKEHDGYSLCCC-UHFFFAOYSA-N

SMILES

C(CCCCCC(O)=O)(C1=C(C)C(=O)C(C)=C(C)C1=O)C2=CC=CC=C2

Canonical SMILES

O=C(O)CCCCCC(C=1C=CC=CC1)C=2C(=O)C(=C(C(=O)C2C)C)C

Other Names for this Substance

  • Benzeneheptanoic acid, ζ-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-
  • Benzeneheptanoic acid, ζ-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-, (±)-
  • ζ-(2,4,5-Trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)benzeneheptanoic acid
  • AA 2414
  • (±)-2,4,5-Trimethyl-3,6-dioxo-ζ-phenyl-1,4-cyclohexadiene-1-heptanoic acid

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Deleted or Replaced CAS Registry Numbers

103186-19-2

CAS INSIGHTSTM
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