Tunnistetiedot

Sonidegib Phosphate

Ei ilmoitettu · C26H32F3N3O11P2

01Tunnistetiedot

Lazychem ID	LC-101332
CAS RN	Ei ilmoitettu
PubChem CID	45138699
Molecular formula	C26H32F3N3O11P2
Molecular weight	681.5 g/mol
IUPAC name	N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide;phosphoric acid
InChIKey	RWIVSVMMGFFZIJ-VWDRLOGHSA-N

02Rakenne ja stereokemia

Two-dimensional chemical structure of Sonidegib Phosphate — 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	1

SMILES	C[C@@H]1CN(C[C@@H](O1)C)C2=NC=C(C=C2)NC(=O)C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F.OP(=O)(O)O.OP(=O)(O)O
InChI	Ei ilmoitettu

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.