Identita

Selamectin EP Impurity B

CAS 165108-09-8 · C43H61NO11

01Identita

Lazychem IDLC-27854
CAS RN165108-09-8
PubChem CID131874747
Molecular formulaC43H61NO11
Molecular weight767.96 g/mol
IUPAC name(2aE,2′S,4E,5′S,6S,6′R,7S,8E,11R,15S,17aR,20Z,20aR,20bS)- 6′-cyclohexyl-7-[(2,6-dideoxy-3-O-methyl-α-L-arabinohexopyranosyl) oxy]-20b-hydroxy-20-(hydroxyimino)- 5′,6,8,19-tetramethyl-5′,6,6′,7,10,11,14,15,17a,20,20a,20bdodecahydrospiro[ 2H,17H-11,15-methanofuro[4,3,2- pq][2,6]benzodioxacyclooctadecine-13,2′-pyran]-17-one ((5Z,25R)-25-cyclohexyl-4′-O-de(2,6-dideoxy-3-O-methyl- α-L-arabino-hexopyranosyl)-5-demethoxy-25-de(1- methylpropyl)-5-(hydroxyimino)avermectin A1a)
InChIKeyGATKGOZXXRVNJY-PBTBINGESA-N

02Struktura a stereochemie

2D structurePubChem CID 131874747
Two-dimensional chemical structure of Selamectin EP Impurity B, CAS 165108-09-8
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.
SMILESC[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C(C3=NO)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O)OC)\C)O[C@]6(C4)C=C[C@@H]([C@H](O6)C7CCCCC7)C)O
InChINeuvedeno

03Stereochemistry

The published structure contains 14 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres14Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16,384Before 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.

04Stav v Indii

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

05Názvy a vztahy

API a mateřské léčivo

Selamectin

Nečistoty a související sloučeniny

Názvy a vztahy

  • 22,23-Didehydro Selamectin

Nečistoty a související sloučeniny

06Zdroje