化学标识

Roxithromycin EP Impurity I

CAS 425365-66-8 · C45H84N2O17

01化学标识

Lazychem IDLC-27563
CAS RN425365-66-8
PubChem CID71750076
Molecular formulaC45H84N2O17
Molecular weight925.15 g/mol
IUPAC name(9E)-2'-O-[(2-Methoxyethoxy)methyl] Erythromycin 9-[O-[(2-Methoxyethoxy)methyl]oxime];
InChIKeyKYAPHMSJPGQOSY-OTHJGQCISA-N

02结构与立体化学

2D structurePubChem CID 71750076
Two-dimensional chemical structure of Roxithromycin EP Impurity I, CAS 425365-66-8
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.
SMILESCC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[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)OCOCCOC)(C)O)C)C)O)(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.

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.

04印度监管状态

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

05名称与关联

原料药与母体药物

Roxithromycin

杂质与相关化合物

名称与关联

  • 2'-O-[(2-Methoxyethoxy)methyl] Roxithromycin
  • (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-(2-methoxyethoxymethoxy)-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
  • Roxithromycin Impurity I
  • Roxithromycin-I
  • (9E)-2'-O-[(2-Methoxyethoxy)methyl] Erythromycin 9-[O-[(2-Methoxyethoxy)methyl] oxime]
  • KYAPHMSJPGQOSY-DXBODRHJSA-N
  • IR106455
  • 9-[O-[(2-Methoxyethoxy)methyl]oxime]-2'-O-[(2-methoxyethoxy)methyl]-(9E )-Erythromycin
  • (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-({(2S,3R,4S,6R)-4-(Dimethylamino)-3-[(2-methoxyethoxy)methoxy]-6-methyloxan-2-yl}oxy)-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-10-{[(2-methoxyethoxy)methoxy]imino}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one

杂质与相关化合物

06来源