Azonosítás

Vancomycin EP Impurity D

CAS 101485-50-1 · C59H62Cl2N8O22

01Azonosítás

Lazychem IDLC-30558
CAS RN101485-50-1
PubChem CID447876
Molecular formulaC59H62Cl2N8O22
Molecular weight1304.34 g/mol
IUPAC nameDesvancosaminyl Vancomycin B
InChIKeyQCHYVJAUGVHJHX-PZIRYZLHSA-N

02Szerkezet és sztereokémia

2D structurePubChem CID 447876
Two-dimensional chemical structure of Vancomycin EP Impurity D, CAS 101485-50-1
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 11 rings, includes aromatic atoms, includes aliphatic carbon, has 14 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres14
Ring count11
Secondary amines1
Tertiary amines0
SMILESCC(C)C[C@H](C(=O)N[C@@H]1[C@@H](C2=CC(=C(C=C2)OC3=CC4=CC(=C3O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC6=C(C=C(C=C6)[C@H]([C@H]7C(=O)N[C@@H](C8=C(C(=CC(=C8)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N7)NC(=O)[C@@H]4NC(=O)[C@@H](NC1=O)CC(=O)N)O)C(=O)O)O)Cl)Cl)O)NC
InChINincs megadva

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

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.

04Indiai státusz

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

05Nevek és kapcsolatok

API és anyavegyület

Vancomycin

Szennyezők és rokon vegyületek

Nevek és kapcsolatok

  • Desvancosaminyl Vancomycin B
  • Desvancosaminyl Vancomycin
  • RefChem:585832
  • (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-(((2R)-4-methyl-2-(methylamino)pentanoyl)amino)-20,23,26,42,44-pentaoxo-48-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo(26.14.2.23,6.214,17.18,12.129,33.010,25.034,39)pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid
  • Vancomycin EP Impurity D
  • 101485-50-1
  • pseudovancomycin
  • vancomycin pseudoaglycone
  • devancoaminyl vancomycin
  • Devancosaminyl-vancomycin
  • SCHEMBL29941547
  • CHEBI:47395

Szennyezők és rokon vegyületek

06Források