Identità

Palbociclib Dimer Impurity

CAS 2458234-34-7 · C44H52Br2N14O2

01Identità

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

02Struttura e stereochimica

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
InChINon indicato

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.

04Stato in India

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

05Nomi e relazioni

API e farmaco progenitore

Palbociclib

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    06Fonti