Azonosítás

Vancomycin Nitroso Impurity

CAS 155386-25-7 · C66H74Cl2N10O25

01Azonosítás

Lazychem IDLC-30574
CAS RN155386-25-7
PubChem CID101657966
Molecular formulaC66H74Cl2N10O25
Molecular weight1478.3 g/mol
IUPAC nameVancomycin Nitroso Impurity
InChIKeyBQBWVAVIAXHHCG-FHYUGYJVSA-N

02Szerkezet és sztereokémia

2D structurePubChem CID 101657966
Two-dimensional chemical structure of Vancomycin Nitroso Impurity, CAS 155386-25-7
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, contains an N-nitroso substructure. These statements are calculated from the published structure string.

Defined stereocentres18
Ring count12
Secondary amines0
Tertiary amines1
SMILESC[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)N(C)N=O)O)Cl)CO)O)O)(C)N)O
InChINincs megadva

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

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-Nitroso Vancomycin
  • Vancomycin Nitroso Impurity

Szennyezők és rokon vegyületek

06Források