Identitate

Dapagliflozin Dimer

Nu este indicat · C42H48Cl2O12

01Identitate

Lazychem ID	LC-33014
CAS RN	Nu este indicat
PubChem CID	169437090
Molecular formula	C42H48Cl2O12
Molecular weight	815.7 g/mol
IUPAC name	(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2-[[(2S,3S,4R,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChIKey	JCJKULUVIFDVLR-SKNUTZMUSA-N

02Structură și stereochimie

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

Defined stereocentres	10
Ring count	6
Secondary amines	0
Tertiary amines	0

SMILES	CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)CO[C@@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC(=C(C=C5)Cl)CC6=CC=C(C=C6)OCC)O)O)O)Cl
InChI	Nu este indicat

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

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.