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Substance Name: Milbemectin [ISO]
RN: 51596-10-2
UNII: C76Y8Z9GEX
InChIKey: ZLBGSRMUSVULIE-GSMJGMFJSA-N

Molecular Formula

  • C31-H44-O7

Molecular Weight

  • 528.6816
 
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Names and Synonyms

Name of Substance

  • Milbemectin [ISO]

Synonyms

  • (6R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-methylmilbemycin B
  • Antibiotic B 41A3
  • Emamectin A3
  • Gowan 1725
  • GWN 1725
  • Koromite
  • Matsuguard
  • Mesa
  • Milbeknock
  • Milbemectin
  • Milbemycin A3
  • Ultiflora
  • UNII-C76Y8Z9GEX

Systematic Name

  • Milbemycin B, 5-O-demethyl-28-deoxy-6-28-epoxy-25-methyl-, (6R,25R)-

Registry Numbers

CAS Registry Number

  • 51596-10-2

FDA UNII

  • C76Y8Z9GEX

Other Registry Number

  • 56197-00-3

System Generated Number

  • 0051596102

Structure Descriptors

InChI

1S/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6+,19-9+,23-8+/t18-,20-,22+,24+,25-,26-,27+,28+,30-,31+/m0/s1

InChIKey

ZLBGSRMUSVULIE-GSMJGMFJSA-N

Smiles

C1C[C@H](C)[C@@H](C)O[C@@]21O[C@H]1C[C@@H](C2)OC(=O)[C@H]2[C@]3([C@@H]([C@@H](C(=C2)C)O)OCC3=CC=C[C@@H](CC(=CC1)C)C)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 213.5 deg C   EXP
log P (octanol-water) 5.3 (none)   EXP
Water Solubility 0.88 mg/L 20 EXP
Vapor Pressure 9.75E-11 mm Hg 20 EXP
Atmospheric OH Rate Constant 4.70E-10 cm3/molecule-sec 25 EST

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