Identité

Roxithromycin EP Impurity D

CAS 134931-00-3 · C41H76N2O15

01Identité

Lazychem IDLC-27558
CAS RN134931-00-3
PubChem CID5480431
Molecular formulaC41H76N2O15
Molecular weight837.05
IUPAC nameErythromycin 9-(Z)-[O-[(2-Methoxyethoxy)methyl]-oxime] ;
InChIKeyRXZBMPWDPOLZGW-HEWSMUCTSA-N

02Structure et stéréochimie

2D structurePubChem CID 5480431
Two-dimensional chemical structure of Roxithromycin EP Impurity D, CAS 134931-00-3
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 amines0
Tertiary amines1
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)O)(C)O)C)C)O)(C)O
InChINon indiqué

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

2 records

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.

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.

04Statut en Inde

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

05Noms et relations

API et médicament parent

Roxithromycin

Impuretés et composés apparentés

Noms et relations

  • Roxithromycin, (Z)-
  • (Z)-roxithromycin
  • 134931-00-3
  • 7LG42MZ5GK
  • CHEBI:32109
  • Erythromycin, 9-(O-((2-methoxyethoxy)methyl)oxime), (9Z)-
  • (3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-10-{[(2-methoxyethoxy)methoxy]imino}-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one
  • RefChem:1048714
  • Roxithromycin EP Impurity D
  • UNII-7LG42MZ5GK
  • (3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-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
  • Surlid

Impuretés et composés apparentés

06Sources