Ταυτότητα

Cisapride Impurity 3

Δεν αναφέρεται · C23H29ClFN3O4

01Ταυτότητα

Lazychem ID	LC-44523
CAS RN	Δεν αναφέρεται
PubChem CID	13677779
Molecular formula	C23H29ClFN3O4
Molecular weight	465.9 g/mol
IUPAC name	4-amino-5-chloro-N-[(3R,4R)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide
InChIKey	DCSUBABJRXZOMT-IFMALSPDSA-N

02Δομή και στερεοχημεία

Two-dimensional chemical structure of Cisapride Impurity 3 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 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	3
Secondary amines	0
Tertiary amines	1

SMILES	CO[C@@H]1CN(CC[C@H]1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCOC3=CC=C(C=C3)F
InChI	Δεν αναφέρεται

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.