化学标识

Azithromycin Impurity R

未列出 · C37H66N2O12

01化学标识

Lazychem ID	LC-47085
CAS RN	未列出
PubChem CID	10676426
Molecular formula	C37H66N2O12
Molecular weight	730.9 g/mol
IUPAC name	(1R,2R,3R,6R,7S,8S,9R,10R,12R,15R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2,10-dihydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,6,8,10,12,15-hexamethyl-4,16-dioxa-14-azabicyclo[11.2.1]hexadec-13-en-5-one
InChIKey	NZDCTMQIUOEUSN-MKYKIHCTSA-N

02结构与立体化学

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

The parsed structure contains 4 rings, includes aliphatic carbon, has 18 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	18
Ring count	4
Secondary amines	0
Tertiary amines	1

SMILES	CC[C@@H]1[C@@]([C@H]2[C@H](N=C(O2)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)C)(C)O
InChI	未列出

03Stereochemistry

The published structure contains 18 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres18Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 262,144Before 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.