Vancomycin Nitroso Impurity

01Identitate

Lazychem ID	LC-30574
CAS RN	155386-25-7
PubChem CID	101657966
Molecular formula	C66H74Cl2N10O25
Molecular weight	1478.3 g/mol
IUPAC name	Vancomycin Nitroso Impurity
InChIKey	BQBWVAVIAXHHCG-FHYUGYJVSA-N

02Structură și stereochimie

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 stereocentres	18
Ring count	12
Secondary amines	0
Tertiary amines	1

SMILES	C[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
InChI	Nu este indicat

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.

CAS 155386-25-7

BQBWVAVIAXHHCG-FHYUGYJVSA-N

Current configuration

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.

04Statut în India

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

05Denumiri și relații

API și medicament părinte

Vancomycin

Impurități și compuși înrudiți

Denumiri și relații

N-Nitroso Vancomycin
Vancomycin Nitroso Impurity

06Surse

S01
PubChem CID 101657966
Structure and machine-readable chemical identifiers.