Identiteet

Vancomycin EP Impurity H (Free Base)

CAS 357396-41-9 · C66H76ClN9O24

01Identiteet

Lazychem IDLC-30563
CAS RN357396-41-9
PubChem CID11400672
Molecular formulaC66H76ClN9O24
Molecular weight1414.83 g/mol
IUPAC name3.6-Dechlorovancomycin B
InChIKeyVLPGMAYFKJWDJA-OGOSXKADSA-N

02Struktuur ja stereokeemia

2D structurePubChem CID 11400672
Two-dimensional chemical structure of Vancomycin EP Impurity H (Free Base), CAS 357396-41-9
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 amines1
Tertiary amines0
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)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)CO)O)O)(C)N)O
InChIPole loetletud

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.

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

  • Monodechlorovancomycin
  • Mono-dechloro-6-vancomycin B

Lisandid ja seotud ühendid

06Allikad