Identità

Upadacitinib Impurity 102

Non indicato · C17H20F3N5O2S

01Identità

Lazychem IDLC-39676
CAS RNNon indicato
PubChem CID58557132
Molecular formulaC17H20F3N5O2S
Molecular weight415.4 g/mol
IUPAC name3,3,3-trifluoro-N-[(1S,3R,4R)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]propane-1-sulfonamide
InChIKeyMGXUICWVHNYGMG-GRYCIOLGSA-N

02Struttura e stereochimica

2D structurePubChem CID 58557132
Two-dimensional chemical structure of Upadacitinib Impurity 102
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.
SMILESC[C@@H]1C[C@@H](C[C@H]1C2=CN=C3N2C4=C(NC=C4)N=C3)NS(=O)(=O)CCC(F)(F)F
InChINon indicato

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before 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.

04Stato in India

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

05Nomi e relazioni

API e farmaco progenitore

Non indicato

Nomi e relazioni

    Impurezze e composti correlati

      06Fonti