Identita

Canagliflozin Dimer Impurity 1

Neuvedeno · C48H48F2O10S2

01Identita

Lazychem ID	LC-35575
CAS RN	Neuvedeno
PubChem CID	129011913
Molecular formula	C48H48F2O10S2
Molecular weight	887.0 g/mol
IUPAC name	(2S,3R,4S,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-2-[[(2R,3S,4R,5R,6S)-6-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChIKey	WIZVEBFOAJARJZ-AVARADFUSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Canagliflozin Dimer Impurity 1 — 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 10 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	10
Ring count	8
Secondary amines	0
Tertiary amines	0

SMILES	CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC(=C(C=C4)C)CC5=CC=C(S5)C6=CC=C(C=C6)F)O)O)O)CC7=CC=C(S7)C8=CC=C(C=C8)F
InChI	Neuvedeno

03Stereochemistry

The published structure contains 10 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres10Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 1,024Before 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.