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Substance Name: Azadirachtin
RN: 11141-17-6
UNII: O4U1SAF85H
InChIKey: FTNJWQUOZFUQQJ-NDAWSKJSSA-N

Classification Codes

  • Insecticides
  • Pesticides

Molecular Formula

  • C35-H44-O16

Molecular Weight

  • 720.7166
 
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Names and Synonyms

Name of Substance

  • Azadirachtin

Synonyms

  • Align
  • Azadirachtin
  • Azadirachtin A
  • Azadirachtin-A
  • Azatin
  • Bioneem
  • CCRIS 9142
  • EPA Pesticide Chemical Code 121701
  • HSDB 7372
  • NeemAzal
  • Nimbicidine
  • Nimurin
  • NSC 368675
  • Ornazin
  • Suneem
  • UNII-O4U1SAF85H

Systematic Names

  • 1H,7H-Naphtho(1,8-bc:4,4a-c')difuran-5,10a(8H)-dicarboxylic acid, 10-(acetyloxy)octahydro-3,5-dihydroxy-4-methyl-8-(((2E)-2-methyl-1-oxo-2-butenyl)oxy)-4-((1aR,2S,3aS,6aS,7S,7aS)-3a,6a,7,7a-tetrahydro-6a-hydroxy-7a-methyl-2,7-methanofuro(2,3-b)oxireno(e)oxepin-1a(2H)-yl)-, dimethyl ester, (2aR,3S,4S,4aR,5S,7aS,8S,10R,10aS,10bR)-
  • 1H,7H-Naphtho(1,8-bc:4,4a-c')difuran-5,10a(8H)-dicarboxylic acid, 10-(acetyloxy)octahydro-3,5-dihydroxy-4-methyl-8-((2-methyl-1-oxo-2-butenyl)oxy)-4-(3a,6a,7,7a-tetrahydro-6a-hydroxy-7a-methyl-2,7-methanofuro(2,3-b)oxireno(e)oxepin-1a(2H)-yl)-, dimethyl ester, (2aR-(2aalpha,3beta,4beta(1aR*,2S*,3aS*,6aS*,7S*,7aS*),4abeta,5alpha,7aS*,8beta(E),10beta,10aalpha,10bbeta))-

Registry Numbers

CAS Registry Number

  • 11141-17-6

FDA UNII

  • O4U1SAF85H

Other Registry Numbers

  • 176087-48-2
  • 189284-01-3
  • 55890-15-8
  • 61812-38-2
  • 95507-01-0

System Generated Number

  • 0011141176

Structure Descriptors

InChI

1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28+,29-,30+,31+,32+,33+,34+,35+/m1/s1

InChIKey

FTNJWQUOZFUQQJ-NDAWSKJSSA-N

Smiles

COC(=O)[C@@]1(O)OC[C@@]23[C@H](C[C@@H](OC(=O)C)[C@]4(CO[C@@H]([C@@H](O)[C@](C)([C@H]12)[C@]56O[C@@]5(C)[C@H]7C[C@@H]6O[C@@H]8OC=C[C@]78O)[C@H]34)C(=O)OC)OC(=O)\C(=C\C)\C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.09 (none)   EXP
Atmospheric OH Rate Constant 2.27E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.