化学标识

Palbociclib Dimer Impurity

CAS 2458234-34-7 · C44H52Br2N14O2

01化学标识

Lazychem IDLC-24546
CAS RN2458234-34-7
PubChem CID177831922
Molecular formulaC44H52Br2N14O2
Molecular weight968.78 g/mol
IUPAC name6-Bromo-5-((6-bromo-8-cyclopentyl-7-oxo-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)-1,4,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)methyl)-8-cyclopentyl-4-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one
InChIKeyGZEMQXDECDCOQK-UHFFFAOYSA-N

02结构与立体化学

2D structurePubChem CID 177831922
Two-dimensional chemical structure of Palbociclib Dimer Impurity, CAS 2458234-34-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 10 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count10
Secondary amines5
Tertiary amines2
SMILESO=C1C(Br)=CC(C(N=C(NC2=NC=C(N3CCNCC3)C=C2)N4)CC(C5=C(N6C7CCCC7)N=C(NC8=NC=C(C=C8)N9CCNCC9)N=C5C)=C(C6=O)Br)=C4N1C%10CCCC%10
InChI未列出

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.

04印度监管状态

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

05名称与关联

原料药与母体药物

Palbociclib

杂质与相关化合物

名称与关联

    杂质与相关化合物

    06来源