Identität

Bioallethrin

CAS 260359-57-7 · C19H26O3

01Identität

Lazychem IDLC-100886
CAS RN260359-57-7
PubChem CID15558638
Molecular formulaC19H26O3
Molecular weight302.4 g/mol
IUPAC namecis-(2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
InChIKeyZCVAOQKBXKSDMS-AQYZNVCMSA-N

02Struktur und Stereochemie

2D structurePubChem CID 15558638
Two-dimensional chemical structure of Bioallethrin, CAS 260359-57-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Ring count2
Secondary amines0
Tertiary amines0
SMILESCC1=C(C(=O)CC1OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)CC=C
InChINicht angegeben

03Stereochemistry

The published structure contains 2 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

2 records

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.

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.

04Status in Indien

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

05Namen und Beziehungen

API und Ausgangsarzneistoff

Nicht angegeben

Namen und Beziehungen

  • Bioallethrin
  • trans-Allethrin
  • 260359-57-7
  • G79DM7O471
  • NSC-11782
  • CHEBI:143255
  • DTXSID00180679
  • (RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
  • RefChem:53352
  • CHEBI:39117
  • DTXCID001507241
  • 249-013-5

Verunreinigungen und verwandte Verbindungen

    06Quellen