Identita

N-Nitroso Crizotinib

Neuvedeno · C21H21Cl2FN6O2

01Identita

Lazychem IDLC-21665
CAS RNNeuvedeno
PubChem CID176489620
Molecular formulaC21H21Cl2FN6O2
Molecular weight479.33 g/mol
IUPAC name(R)-3-(1-(2,6-Dichloro-3-fluorophenyl)ethoxy)-5-(1-(1-nitrosopiperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine
InChIKeyURPJTCBCIJOHAY-GFCCVEGCSA-N

02Struktura a stereochemie

2D structurePubChem CID 176489620
Two-dimensional chemical structure of N-Nitroso Crizotinib
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, contains an N-nitroso substructure. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count4
Secondary amines0
Tertiary amines1
SMILESC[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCN(CC4)N=O)N
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

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.

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

API a mateřské léčivo

Crizotinib

Nečistoty a související sloučeniny

Názvy a vztahy

    Nečistoty a související sloučeniny

    06Zdroje