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Substance Name: 13-epi-Avm B2
RN: 135680-93-2
InChIKey: CWGATOJEFAKFBK-PDVFGPFMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C48-H74-O15

Molecular Weight

  • 891.0976
 
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Names and Synonyms

Results Name

  • 13-epi-Avm B2

Synonyms

  • (13R,23S)-22,23-Dihydro-5-O-demethyl-23-hydroxyavermectin A(sub 1a)
  • 13-epi-Avm B(sub 2)

Systematic Names

  • Avermectin A(sub 1a), 22,23-dihydro-5-O-demethyl-23-hydroxy-, (13R,23S)-
  • Avermectin A1a, 5-O-demethyl-22,23-dihydro-23-hydroxy-, (13R,23S)-

Registry Numbers

CAS Registry Number

  • 135680-93-2

System Generated Number

  • 0135680932

Structure Descriptors

InChI

1S/C48H74O15/c1-11-24(2)43-28(6)35(49)22-47(63-43)21-33-18-32(62-47)16-15-26(4)42(25(3)13-12-14-31-23-56-45-40(50)27(5)17-34(46(52)59-33)48(31,45)53)60-39-20-37(55-10)44(30(8)58-39)61-38-19-36(54-9)41(51)29(7)57-38/h12-15,17,24-25,28-30,32-45,49-51,53H,11,16,18-23H2,1-10H3/b13-12+,26-15+,31-14+/t24-,25-,28-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47-,48+/m0/s1

InChIKey

CWGATOJEFAKFBK-PDVFGPFMSA-N

Smiles

CC[C@H](C)[C@@H]1[C@H]([C@H](C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([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)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 540mg/kg (540mg/kg)   Journal of Medicinal Chemistry. Vol. 35, Pg. 3873, 1992.