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Substance Name: Eprinomectin component B1a
RN: 133305-88-1
UNII: 00OY54D31C
InChIKey: ZKWQQXZUCOBISE-CRTGXIDZSA-N

Classification Codes

  • Agricultural Chemical
  • Insecticide

Molecular Formula

  • C50-H75-N-O14

Molecular Weight

  • 914.135
 
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Names and Synonyms

Name of Substance

  • Eprinomectin component B1a

Synonyms

  • (2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-6'-(S)-sec-Butyl-5',6,6',7,10,11,14,15,17a,20,20a,20b-dodecahydro-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxospiro(11,15-methano-2H,13H,17H-furo(4,3,2-pq)(2,6)benzodioxacyclooctadecin-13,2'-(2H)pyran)-7-yl-4-O-(4-acetamido-2,4,6-trideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl)-2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexo
  • (2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-6'-(S)-sec-Butyl-5',6,6',7,10,11,14,15,17a,20,20a,20b-dodecahydro-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxospiro(11,15-methano-2H,13H,17H-furo(4,3,2-pq)(2,6)benzodioxacyclooctadecin-13,2'-(2H)pyran)-7-yl-4-O-(4-acetamido-2,4,6-trideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl)-2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside
  • (4''R)-4''-(Acetylamino)-5-O-demethyl-4''-deoxyavermectin A1a
  • Avermectin A1a, 4'-(acetylamino)-5-O-demethyl-4'-deoxy-, (4'R)-
  • Eprinomectin component B1
  • Eprinomectin component B1a
  • UNII-00OY54D31C

Systematic Names

  • Avermectin A(sub 1a), 4''-(acetylamino)-5-O-demethyl-4''-deoxy-, (4''R)-
  • Avermectin A1a, 4''-(acetylamino)-5-O-demethyl-4''-deoxy-, (4''R)-

Registry Numbers

CAS Registry Number

  • 133305-88-1

FDA UNII

  • 00OY54D31C

System Generated Number

  • 0133305881

Structure Descriptors

InChI

1S/C50H75NO14/c1-12-26(2)45-29(5)18-19-49(65-45)24-36-21-35(64-49)17-16-28(4)44(27(3)14-13-15-34-25-58-47-43(53)30(6)20-37(48(54)61-36)50(34,47)55)62-41-23-39(57-11)46(32(8)60-41)63-40-22-38(56-10)42(31(7)59-40)51-33(9)52/h13-16,18-20,26-27,29,31-32,35-47,53,55H,12,17,21-25H2,1-11H3,(H,51,52)/b14-13+,28-16+,34-15+/t26-,27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43+,44-,45+,46-,47+,49+,50+/m0/s1

InChIKey

ZKWQQXZUCOBISE-CRTGXIDZSA-N

Smiles

C1O[C@@H]2[C@@H](C(=C[C@@H]3[C@@]2(O)C1=CC=C[C@H](C)[C@H](O[C@@H]1O[C@H]([C@@H]([C@H](C1)OC)O[C@H]1C[C@@H]([C@@H]([C@@H](O1)C)NC(C)=O)OC)C)C(C)=CC[C@@H]1C[C@@H](C[C@]2(O[C@@H]([C@H](C=C2)C)[C@@H](C)CC)O1)OC3=O)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 24mg/kg (24mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 42, Pg. 1786, 1994.