Tożsamość

Maropitant Impurity 8(M9)

Nie podano · C37H46N2O4S

01Tożsamość

Lazychem ID	LC-45928
CAS RN	Nie podano
PubChem CID	11635822
Molecular formula	C37H46N2O4S
Molecular weight	614.8 g/mol
IUPAC name	(2S,3S)-2-benzhydryl-N-benzyl-1-azabicyclo[2.2.2]octan-3-amine;[(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
InChIKey	HRPRBIZYBSSUQC-NEQREYEDSA-N

02Struktura i stereochemia

Two-dimensional chemical structure of Maropitant Impurity 8(M9) — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 8 rings, includes aromatic atoms, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	3
Ring count	8
Secondary amines	1
Tertiary amines	1

SMILES	CC1(C2CC[C@@]1(C(=O)C2)CS(=O)(=O)O)C.C1CN2CCC1[C@@H]([C@@H]2C(C3=CC=CC=C3)C4=CC=CC=C4)NCC5=CC=CC=C5
InChI	Nie podano

03Stereochemistry

The published structure contains 3 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned

Unassigned centres1Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 16Before 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.