Chemical identity

Selamectin EP Impurity B

CAS 165108-09-8 · C43H61NO11

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-27854
PubChem CID131874747
NameSelamectin EP Impurity B
CAS RN165108-09-8
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

02Structure identifiers

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.

The parsed structure contains 7 rings, includes aliphatic carbon, has 14 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres14
Unassigned stereocentres0
Ring count7
Secondary amines0
Tertiary amines0
N-methyl amine sites0
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
InChINot listed
Formula from structureC43H61NO11
Molecular weight from structure767.96 g/mol

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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 165108-09-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 165108-09-8 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Selamectin

View API and impurity family

Other names

  • 22,23-Didehydro Selamectin

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources