Identita

Coumafuryl

CAS 117-52-2 · C17H14O5

01Identita

Lazychem IDLC-100867
CAS RN117-52-2
PubChem CID54689800
Molecular formulaC17H14O5
Molecular weight298.29 g/mol
IUPAC name3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one
InChIKeyJFIXKFSJCQNGEK-UHFFFAOYSA-N

02Štruktúra a stereochémia

2D structurePubChem CID 54689800
Two-dimensional chemical structure of Coumafuryl, CAS 117-52-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
SMILESCC(=O)CC(C1=CC=CO1)C2=C(C3=CC=CC=C3OC2=O)O
InChINeuvedené

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Stav v Indii

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Názvy a vzťahy

API a materské liečivo

Neuvedené

Názvy a vzťahy

  • COUMAFURYL
  • 117-52-2
  • Ratafin
  • Krumkil
  • Tomarin
  • Lurat
  • Mouse blues
  • Kill-Ko Rat
  • Cumafuryl
  • Caswell No. 005
  • 3-(1-Furyl-3-acetylethyl)-4-hydroxycoumarin
  • 3-(alpha-Acetonylfurfuryl)-4-hydroxycoumarin

Nečistoty a súvisiace zlúčeniny

    06Zdroje