Identiteta

Tofacitinib Impurity 32

Ni navedeno · C20H24ClN5

01Identiteta

Lazychem ID	LC-37445
CAS RN	Ni navedeno
PubChem CID	78358399
Molecular formula	C20H24ClN5
Molecular weight	369.9 g/mol
IUPAC name	N-[(3S,4R)-1-benzyl-4-methylpiperidin-3-yl]-2-chloro-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
InChIKey	MXIDKFWWKNFJKE-RHSMWYFYSA-N

02Struktura in stereokemija

Two-dimensional chemical structure of Tofacitinib Impurity 32 — 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, contains at least one halogen atom. 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=CN3)Cl)CC4=CC=CC=C4
InChI	Ni navedeno

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

3 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.