Identité

Bms-378806

Non indiqué · C22H22N4O4

01Identité

Lazychem IDLC-84540
CAS RNNon indiqué
PubChem CID5495818
Molecular formulaC22H22N4O4
Molecular weight406.4 g/mol
IUPAC name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione
InChIKeyOKGPFTLYBPQBIX-CQSZACIVSA-N

02Structure et stéréochimie

2D structurePubChem CID 5495818
Two-dimensional chemical structure of Bms-378806
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 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count4
Secondary amines0
Tertiary amines0
SMILESC[C@@H]1CN(CCN1C(=O)C(=O)C2=CNC3=NC=CC(=C23)OC)C(=O)C4=CC=CC=C4
InChINon indiqué

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before 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.

04Statut en Inde

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

05Noms et relations

API et médicament parent

Non indiqué

Noms et relations

    Impuretés et composés apparentés

      06Sources