N-Nitroso Azithromycin

01Identita

Lazychem ID	LC-21552
CAS RN	Neuvedené
PubChem CID	169444532
Molecular formula	C37H69N3O13
Molecular weight	764 g/mol
IUPAC name	(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-ethyl-3,4,10-trihydroxy-13-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-3,5,8,10,12,14-hexamethyl-6-nitroso-1-oxa-6-azacyclopentadecan-15-one
InChIKey	ALCXTQLDVSPSAO-HOQMJRDDSA-N

02Štruktúra a stereochémia

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

The parsed structure contains 3 rings, includes aliphatic carbon, has 18 defined stereocentres, contains an N-nitroso substructure. These statements are calculated from the published structure string.

Defined stereocentres	18
Ring count	3
Secondary amines	0
Tertiary amines	2

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

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.

CAS not listed

ALCXTQLDVSPSAO-HOQMJRDDSA-N

Current configuration

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Stav v Indii

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Názvy a vzťahy

API a materské liečivo

Azithromycin

Nečistoty a súvisiace zlúčeniny

Názvy a vzťahy

N-Nitroso Azithromycin EP impurity A

06Zdroje

S01
PubChem CID 169444532
Structure and machine-readable chemical identifiers.