Tapatybė

Vancomycin Didechloro Impurity

CAS 98510-30-6 · C66H77N9O24

01Tapatybė

Lazychem IDLC-30554
CAS RN98510-30-6
PubChem CID56591899
Molecular formulaC66H77N9O24
Molecular weight1379.5081 g/mol
IUPAC nameDidechloro Vancomycin B
InChIKeyIOXLZCMWALOQAE-ZSQKFXKTSA-N

02Struktūra ir stereochemija

2D structurePubChem CID 56591899
Two-dimensional chemical structure of Vancomycin Didechloro Impurity, CAS 98510-30-6
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. 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=CC=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)CO)O)O)(C)N)O
InChINenurodyta

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.

04Statusas Indijoje

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

05Pavadinimai ir ryšiai

API ir pirminis vaistas

Vancomycin

Priemaišos ir susiję junginiai

Pavadinimai ir ryšiai

  • Didechloro Vancomycin Hydrochloride (Technical Grade)(Vancomycin Impurity)
  • Vancomycin Impurity
  • Vancomycin Didechloro Impurity
  • 98510-30-6

Priemaišos ir susiję junginiai

06Šaltiniai