Azonosítás

Tofacitinib Impurity

Nincs megadva · C16H22N6O

01Azonosítás

Lazychem IDLC-38611
CAS RNNincs megadva
PubChem CID70993296
Molecular formulaC16H22N6O
Molecular weight314.39 g/mol
IUPAC name3-[3-[6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl(methyl)amino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile
InChIKeyPEURVXMHTIUQCG-UHFFFAOYSA-N

02Szerkezet és sztereokémia

2D structurePubChem CID 70993296
Two-dimensional chemical structure of Tofacitinib Impurity
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

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

Defined stereocentres0
Ring count3
Secondary amines1
Tertiary amines1
SMILESCC1CCN(CC1N(C)C2=NC=NC3=C2CCN3)C(=O)CC#N
InChINincs megadva

03Stereochemistry

The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres2Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 4Before 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.

04Indiai státusz

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

05Nevek és kapcsolatok

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      06Források