Azonosítás

Vancomycin EP Impurity A

CAS 91700-98-0 · C65H73Cl2N9O24

01Azonosítás

Lazychem IDLC-30555
CAS RN91700-98-0
PubChem CID124741
Molecular formulaC65H73Cl2N9O24
Molecular weight1433.23 g/mol
IUPAC nameN-Desmethyl Vancomycin B
InChIKeyFGDOJVYPUSOORV-BKPBQXSSSA-N

02Szerkezet és sztereokémia

2D structurePubChem CID 124741
Two-dimensional chemical structure of Vancomycin EP Impurity A, CAS 91700-98-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 12 rings, includes aromatic atoms, includes aliphatic carbon, has 18 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres18
Ring count12
Secondary amines0
Tertiary amines0
SMILESCCC(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[C@H]6C[C@]([C@@H]([C@@H](O6)C)O)(C)N)OC7=C(C=C(C=C7)[C@H]([C@H]8C(=O)N[C@@H](C9=C(C(=CC(=C9)O)O)C2=C(C=CC(=C2)[C@H](C(=O)N8)NC(=O)[C@@H]4NC(=O)[C@@H](NC1=O)CC(=O)N)O)C(=O)O)O)Cl)Cl)O)N
InChINincs megadva

03Stereochemistry

The published structure contains 18 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres18Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 524,288Before 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

  • N-Desmethyl Vancomycin
  • N-Desmethyl Vancomycin B
  • Vancomycin N-Desmethyl Metabolite

Szennyezők és rokon vegyületek

06Források