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Substance Name: Ivermectin B1a
RN: 71827-03-7
UNII: 91Y2202OUW
InChIKey: AZSNMRSAGSSBNP-XPNPUAGNSA-N

Note

  • Major component of IVERMECTIN.

Classification Codes

  • Agricultural Chemical
  • Insecticide

Molecular Formula

  • C48-H74-O14

Molecular Weight

  • 875.0986
 
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Names and Synonyms

Results Name

  • Ivermectin B1a

Name of Substance

  • 22,23-Dihydroavermectin B(1)a
  • Ivermectin component b1a

Synonyms

  • 22,23-Dihydro-5-O-demethylavermectin A1a
  • 22,23-Dihydroavermectin B1a
  • BRN 4643153
  • Dihydroavermectin B1a
  • EINECS 276-046-2
  • Ivermectin B1a
  • Ivermectin component b1a
  • UNII-91Y2202OUW

Systematic Names

  • Avermectin A1a, 22,23-dihydro-5-O-demethyl-
  • Avermectin A1a, 5-O-demethyl-22,23-dihydro-

Registry Numbers

CAS Registry Number

  • 71827-03-7

FDA UNII

  • 91Y2202OUW

Other Registry Numbers

  • 116522-39-5
  • 123022-60-6
  • 139645-33-3
  • 70161-11-4
  • 73910-57-3

System Generated Number

  • 0071827037

Structure Descriptors

InChI

1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1

InChIKey

AZSNMRSAGSSBNP-XPNPUAGNSA-N

Smiles

CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]3C[C@@H](C\C=C(/C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C\6/CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 27mg/kg (27mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 42, Pg. 1786, 1994.