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Substance Name: Avermectin A1a, 4''-(acetylamino)-26-(benzoyloxy)-5-O-demethyl-4''-deoxy-, (4''R)-
RN: 148864-94-2
InChIKey: LGPYZAGLCSSKDH-ICNYASAVSA-N

Classification Codes

  • Agricultural Chemical
  • Insecticide

Molecular Formula

  • C57-H79-N-O16

Molecular Weight

  • 1034.2421
 
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Names and Synonyms

Synonym

  • (4''R)-4''-(Acetylamino)-26-(benzoyloxy)-5-O-demethyl-4''-deoxyavermectin A1a

Systematic Name

  • Avermectin A1a, 4''-(acetylamino)-26-(benzoyloxy)-5-O-demethyl-4''-deoxy-, (4''R)-

Registry Numbers

CAS Registry Number

  • 148864-94-2

System Generated Number

  • 0148864942

Structure Descriptors

InChI

1S/C57H79NO16/c1-11-31(2)51-34(5)22-23-56(74-51)28-42-25-41(73-56)21-20-33(4)50(71-47-27-45(65-10)52(36(7)69-47)72-46-26-44(64-9)48(35(6)68-46)58-37(8)59)32(3)16-15-19-40-30-66-53-49(60)39(24-43(55(62)70-42)57(40,53)63)29-67-54(61)38-17-13-12-14-18-38/h12-20,22-24,31-32,34-36,41-53,60,63H,11,21,25-30H2,1-10H3,(H,58,59)/b16-15+,33-20+,40-19+/t31-,32-,34-,35-,36-,41+,42-,43-,44-,45-,46-,47-,48+,49+,50-,51+,52-,53+,56+,57+/m0/s1

InChIKey

LGPYZAGLCSSKDH-ICNYASAVSA-N

Smiles

CC[C@H](C)[C@@H]1[C@H](C=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)COC(=O)c6ccccc6)C(=O)O3)O)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@@H](O8)C)NC(=O)C)OC)OC)\C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 560mg/kg (560mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 42, Pg. 1786, 1994.