Identität

Estrone 9-Dehydro Impurity

CAS 1089-80-1 · C18H20O2

01Identität

Lazychem IDLC-14506
CAS RN1089-80-1
PubChem CID10890881
Molecular formulaC18H20O2
Molecular weight268.35 g/mol
IUPAC name3-Hydroxy-estra-1,3,5(10),9(11) -tetraen-17-one
InChIKeySONVSJYKHAWLHA-RYRKJORJSA-N

02Struktur und Stereochemie

2D structurePubChem CID 10890881
Two-dimensional chemical structure of Estrone 9-Dehydro Impurity, CAS 1089-80-1
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres3
Ring count4
Secondary amines0
Tertiary amines0
SMILESC[C@]12CC=C3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O
InChINicht angegeben

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before 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.

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

Estrone

Verunreinigungen und verwandte Verbindungen

Namen und Beziehungen

  • 9-Dehydroestrone
  • 3-Hydroxy-estra-1,3,5(10),9(11)-tetraen-17-one
  • DTXSID00447370
  • RefChem:279932
  • DTXCID00398191
  • 1089-80-1
  • (8S,13S,14S)-3-Hydroxy-13-methyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
  • delta9(11)-Estrone
  • 9,11-Dehydroestrone
  • 3-Hydroxyestra-1,3,5(10),9(11)-tetraen-17-one
  • Estradiol Valerate Impurity 27
  • SCHEMBL8081749

Verunreinigungen und verwandte Verbindungen

06Quellen