Идентичност

Mitiglinide Impurity 3

Не е посочено · C38H48CaN2O6

01Идентичност

Lazychem ID	LC-32857
CAS RN	Не е посочено
PubChem CID	170900984
Molecular formula	C38H48CaN2O6
Molecular weight	668.9 g/mol
IUPAC name	calcium bis((2R)-4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoate)
InChIKey	PMRVFZXOCRHXFE-HIWVWWIASA-L

02Структура и стереохимия

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

The parsed structure contains 6 rings, includes aromatic atoms, includes aliphatic carbon, has 6 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	6
Ring count	6
Secondary amines	0
Tertiary amines	0

SMILES	C1CC[C@H]2CN(C[C@H]2C1)C(=O)C[C@@H](CC3=CC=CC=C3)C(=O)[O-].C1CC[C@H]2CN(C[C@H]2C1)C(=O)C[C@@H](CC3=CC=CC=C3)C(=O)[O-].[Ca+2]
InChI	Не е посочено

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 64Before 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.