Identita

Pitavastatin glucoronide

Neuvedeno · C31H32FNO10

01Identita

Lazychem ID	LC-35143
CAS RN	Neuvedeno
PubChem CID	131881387
Molecular formula	C31H32FNO10
Molecular weight	597.6 g/mol
IUPAC name	(2S,3S,4S,5R,6S)-6-[(E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKey	QBNFJKKTKRSBGF-SEKOGJSVSA-N

02Struktura a stereochemie

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

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 7 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	7
Ring count	5
Secondary amines	0
Tertiary amines	0

SMILES	C1CC1C2=NC3=CC=CC=C3C(=C2/C=C/[C@H](C[C@H](CC(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)C5=CC=C(C=C5)F
InChI	Neuvedeno

03Stereochemistry

The published structure contains 7 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres7Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 128Before 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.