Identiteta

Mitiglinide Calcium

Ni navedeno · C38H48CaN2O6

01Identiteta

Lazychem ID	LC-84595
CAS RN	Ni navedeno
PubChem CID	5478927
Molecular formula	C38H48CaN2O6
Molecular weight	668.9 g/mol
IUPAC name	calcium bis((2S)-4-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoate)
InChIKey	PMRVFZXOCRHXFE-FMEJWYFOSA-L

02Struktura in stereokemija

Two-dimensional chemical structure of Mitiglinide Calcium — 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	Ni navedeno

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.