Identiteet

Vancomycin EP Impurity C

CAS 82198-76-3 · C53H52Cl2N8O17

01Identiteet

Lazychem IDLC-30557
CAS RN82198-76-3
PubChem CID445835
Molecular formulaC53H52Cl2N8O17
Molecular weight1142.28 g/mol
IUPAC nameVancomycin B Aglycone ;Aglucovancomycin B Aglucovancomycin B
InChIKeyJHIKFOISFAQTJQ-YZANBJIASA-N

02Struktuur ja stereokeemia

2D structurePubChem CID 445835
Two-dimensional chemical structure of Vancomycin EP Impurity C, CAS 82198-76-3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 10 rings, includes aromatic atoms, includes aliphatic carbon, has 9 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres9
Ring count10
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)OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=C(C(=CC(=C7)O)O)C8=C(C=CC(=C8)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H](NC1=O)CC(=O)N)O)C(=O)O)O)Cl)Cl)O)NC
InChIPole loetletud

03Stereochemistry

The published structure contains 9 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres9Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 512Before 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.

04Staatus Indias

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

05Nimed ja seosed

API ja lähteravim

Vancomycin

Lisandid ja seotud ühendid

Nimed ja seosed

  • Vancomycin B Aglycone / Aglucovancomycin B / Agluco Vancomycin B
  • Vancomycin aglycone
  • 82198-76-3
  • Balhimycin aglycon
  • CHEBI:47724
  • RefChem:1100937
  • Vancomycin aglycon
  • Aglucovancomycin B
  • Vancomycin EP Impurity C
  • Aglycovancomycin
  • CTG4FW5MNE
  • CHEMBL439343

Lisandid ja seotud ühendid

06Allikad