Identita

(R)-Capivasertib

Neuvedeno · C21H25ClN6O2

01Identita

Lazychem IDLC-39869
CAS RNNeuvedeno
PubChem CID57750340
Molecular formulaC21H25ClN6O2
Molecular weight428.9 g/mol
IUPAC name4-amino-N-[(1R)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
InChIKeyJDUBGYFRJFOXQC-QGZVFWFLSA-N

02Struktura a stereochemie

2D structurePubChem CID 57750340
Two-dimensional chemical structure of (R)-Capivasertib
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 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count4
Secondary amines0
Tertiary amines1
SMILESC1CN(CCC1(C(=O)N[C@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4
InChINeuvedeno

03Stereochemistry

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

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before 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.

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 vztahy

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      06Zdroje