Aitheantas

Roxithromycin EP Impurity B

CAS 214902-82-6 · C33H62N2O12

01Aitheantas

Lazychem IDLC-27557
CAS RN214902-82-6
PubChem CID21579398
Molecular formulaC33H62N2O12
Molecular weight678.85 g/mol
IUPAC name(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R,E)-6-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-ethyl-4,7,12,13-tetrahydroxy-10-(((2-methoxyethoxy)methoxy)imino)-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one
InChIKeyBNZRPTCUAOMSSH-MDOVVVHDSA-N

02Struchtúr agus steiréicheimic

2D structurePubChem CID 21579398
Two-dimensional chemical structure of Roxithromycin EP Impurity B, CAS 214902-82-6
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aliphatic carbon, has 14 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres14
Ring count2
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)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)O)C)C)O)(C)O
InChIGan liostú

03Stereochemistry

The published structure contains 14 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres14Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16,384Before 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.

04Stádas san India

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

05Ainmneacha agus gaolta

API agus máthairdhruga

Roxithromycin

Eisíontais agus comhdhúile gaolmhara

Ainmneacha agus gaolta

  • Decladinose Roxithromycin (Roxithromycin Impurity B)
  • 214902-82-6
  • (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-4,7,12,13-tetrahydroxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
  • Roxithromycin EP Impurity B
  • Roxithromycin Impurity B
  • SCHEMBL30038702
  • DTXSID10616050
  • ID106420
  • H37260
  • (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-4,7,12,13-tetrahydroxy-10-{[(2-methoxyethoxy)methoxy]imino}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one
  • (3R,4S,5S,6R,7R,9R,11S,12R,13S,14R,E)-6-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-ethyl-4,7,12,13-tetrahydroxy-10-(((2-methoxyethoxy)methoxy)imino)-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one
  • (9E)-3-O-De(2,6-dideoxy-3-C-methyl-3-O-methyl-?-L-ribo-hexopyranosyl)erythromycin9-[O-[(2-methoxyethoxy)met hyl]oxime]

Eisíontais agus comhdhúile gaolmhara

06Foinsí