Chemical identity

Moxidectin EP Impurity C / Moxidectin Pentenyl Analog

CAS 114041-23-5 · C36H51NO8

01Identity

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

Lazychem IDLC-20648
PubChem CID10054704
NameMoxidectin EP Impurity C / Moxidectin Pentenyl Analog
CAS RN114041-23-5
Molecular formulaC36H51NO8
Molecular weight625.80 g/mol
IUPAC name25-des[(1E)-1,3-dimethylbut-1-enyl]-25-[(1E)-1- methylbut-1-enyl]moxidectin
InChIKeyNGXRVNUJBHWBFI-OYMNSIQJSA-N

02Structure identifiers

2D structurePubChem CID 10054704
2D structure: Moxidectin EP Impurity C / Moxidectin Pentenyl Analog, CAS 114041-23-5
Structure of Moxidectin EP Impurity C / Moxidectin Pentenyl Analog (CAS 114041-23-5). LazyChem record. Source identity: PubChem CID 10054704. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC36H51NO8
InChIKeyNGXRVNUJBHWBFI-OYMNSIQJSA-N
Ring count5
Defined stereocentres10
Unassigned stereocentres0
SMILESCC/C=C(\C)/[C@@H]1[C@H](/C(=N/OC)/C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)\C)C
InChIInChI=1S/C36H51NO8/c1-8-10-23(4)32-25(6)30(37-41-7)19-35(45-32)18-28-17-27(44-35)14-13-22(3)15-21(2)11-9-12-26-20-42-33-31(38)24(5)16-29(34(39)43-28)36(26,33)40/h9-13,16,21,25,27-29,31-33,38,40H,8,14-15,17-20H2,1-7H3/b11-9+,22-13+,23-10+,26-12+,37-30+/t21-,25-,27+,28-,29-,31+,32+,33+,35-,36+/m0/s1

03Stereochemistry

The published structure contains 10 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres102D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 1,024Before 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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 114041-23-5 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 114041-23-5 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Moxidectin

View API and impurity family

Other names

  • Moxidectin EP Impurity C
  • Moxidectin Pentenyl Analog
  • 25-Des((1E)-1,3-dimethylbut-1-enyl)-25-((1E)-1-methylbut-1-enyl)moxidectin
  • UNII-BDT78DF9MJ
  • Moxidectin specified impurity C
  • Milbemycin B, 5-O-demethyl-28-deoxy-6,28-epoxy-23-(methoxyimino)-25-(1-methyl-1-butenyl)-, (6R,23E,25S(E))-
  • Moxidectin for veterinary use specified impurity C [EP]
  • MOXIDECTIN IMPURITY C
  • MOXIDECTIN FOR VETERINARY USE IMPURITY C [EP IMPURITY]

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