Tożsamość

Upadacitinib Impurity 9

Nie podano · C29H29N5O4S

01Tożsamość

Lazychem IDLC-33516
CAS RNNie podano
PubChem CID162445263
Molecular formulaC29H29N5O4S
Molecular weight543.6 g/mol
IUPAC namebenzyl (3S,4S)-3-ethyl-4-[5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]pyrrolidine-1-carboxylate
InChIKeyMCBXXQJEBJJFFW-ISKFKSNPSA-N

02Struktura i stereochemia

2D structurePubChem CID 162445263
Two-dimensional chemical structure of Upadacitinib Impurity 9
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.
SMILESCC[C@@H]1CN(C[C@H]1C2=CN=C3N2C4=C(N=C3)N(C=C4)S(=O)(=O)C5=CC=C(C=C5)C)C(=O)OCC6=CC=CC=C6
InChINie podano

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

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.

04Status w Indiach

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

05Nazwy i powiązania

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      06Źródła