Identitate

Tofacitinib Impurity 199

Nu este indicat · C23H31N5

01Identitate

Lazychem ID	LC-33568
CAS RN	Nu este indicat
PubChem CID	156697990
Molecular formula	C23H31N5
Molecular weight	377.5 g/mol
IUPAC name	N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-N-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
InChIKey	KEMRTYJERIHQPR-NQIIRXRSSA-N

02Structură și stereochimie

Two-dimensional chemical structure of Tofacitinib Impurity 199 — 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 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	2
Ring count	4
Secondary amines	0
Tertiary amines	2

SMILES	C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3C(C)C)CC4=CC=CC=C4
InChI	Nu este indicat

03Stereochemistry

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

Defined centres2Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 4Before 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.