Identiteet

Azithromycin EP Impurity A

CAS 76801-85-9 · C37H70N2O12

01Identiteet

Lazychem IDLC-07471
CAS RN76801-85-9
PubChem CID9810601
Molecular formulaC37H70N2O12
Molecular weight734.95 g/mol
IUPAC name6-demethyl Azithromycin
InChIKeyHRKNNHYKWGYTEN-HOQMJRDDSA-N

02Struktuur ja stereokeemia

2D structurePubChem CID 9810601
Two-dimensional chemical structure of Azithromycin EP Impurity A, CAS 76801-85-9
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. These statements are calculated from the published structure string.

Defined stereocentres18
Ring count3
Secondary amines1
Tertiary amines1
SMILESCC[C@@H]1[C@@]([C@@H]([C@H](NC[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)C)O)(C)O
InChIPole loetletud

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.

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.

04Staatus Indias

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

05Nimed ja seosed

API ja lähteravim

Azithromycin/ Erythromycin

Lisandid ja seotud ühendid

Nimed ja seosed

  • N6-Demethylazithromycin
  • 10-Dihydro-10-deoxo-11-azaerythromycin A
  • (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-1-oxa-6-azacyclopentadecan-15-one
  • Azaerythromycin A
  • 9-Deoxo-9a-aza-9a-homoerythromycin A

Lisandid ja seotud ühendid

06Allikad