chempirical

Moxidectin

C37H53NO8CAS 113507-06-5639.83 g/mol

Open in Covalent MOL file
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AcetalAlcoholAlkeneEsterEtherLactoneOxime

Properties

Molecular formula
C37H53NO8
Molar mass
639.83 g/mol
Exact mass
639.3771 Da
logP
5.73Crippen estimate
Polar surface area
116.0 Ų
H-bond donors / acceptors
2 / 9
Rotatable bonds
3
Stereocentres
R, S, R, R, R, R, R, S, S, Sin SMILES atom order
Double bonds
E, EE/Z, in SMILES order

Identifiers

CAS number
113507-06-5
SMILES
CO/N=C1C[C@]2(C[C@@H]3C[C@@H](C/C=C(C)C[C@@H](C)/C=C/C=C4CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C
InChIKey
YZBLFMPOMVTDJY-LSGXYNIPSA-N
InChI
InChI=1S/C37H53NO8/c1-21(2)14-25(6)33-26(7)31(38-42-8)19-36(46-33)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27-20-43-34-32(39)24(5)16-30(35(40)44-29)37(27,34)41/h9-12,14,16,21-22,26,28-30,32-34,39,41H,13,15,17-20H2,1-8H3/b10-9+,23-12+,25-14+,27-11+,38-31+/t22-,26-,28+,29-,30-,32+,33+,34+,36-,37+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • Milbemycin B, 5-O-demethyl-28-deoxy-25-[(1E)-1,3-dimethyl-1-buten-1-yl]-6,28-epoxy-23-(methoxyimino)-, (6R,23E,25S)-
  • Milbemycin B, 5-O-demethyl-28-deoxy-25-(1,3-dimethyl-1-butenyl)-6,28-epoxy-23-(methoxyimino)-, [6R,23E,25S(E)]-
  • Milbemycin B, 5-O-demethyl-28-deoxy-25-[(1E)-1,3-dimethyl-1-butenyl]-6,28-epoxy-23-(methoxyimino)-, (6R,23E,25S)-
  • Spiro[11,15-methano-2H,13H,17H-furo[4,3,2-pq][2,6]benzodioxacyclooctadecin-13,2′-[2H]pyran], milbemycin B deriv.
  • (6R,23E,25S)-5-O-Demethyl-28-deoxy-25-[(1E)-1,3-dimethyl-1-buten-1-yl]-6,28-epoxy-23-(methoxyimino)milbemycin B
  • CL 301423
  • Cydectin
  • Quest
  • Quest (parasiticide)
  • Vetdectin oral drench
  • ProHeart 6
  • 23-Methoxime-LL-F 28249α
  • Equest

Work with Moxidectin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Milbemycin oxime129496-10-247 % similar Doramectin117704-25-342 % similar Avermectin B1A65195-55-341 % similar Eprinomectin123997-26-241 % similar Emamectin119791-41-240 % similar Selamectin220119-17-537 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook