Ivermectin B1b

Base Information

• Chemical Name: Ivermectin B1b
• CAS No.: 70209-81-3
• Deprecated CAS: 91852-98-1,116522-64-6,116050-60-3,116522-64-6
• Molecular Formula: C47H72 O14
• Molecular Weight: 861.07
• European Community (EC) Number: 274-384-5
• UNII: 0W28CYI3TU
• DSSTox Substance ID: DTXSID3023182
• Wikidata: Q27132925
• Metabolomics Workbench ID: 63060
• Mol file: 70209-81-3.mol

Synonyms:22,23-dihydroavermectin B(1)b;22,23-dihydroavermectin B1(b);22,23-dihydroavermectin B1b;avermectin A1a, 5-O-demethyl-25-de(1-methylpropyl)-22,23-dihydro-25-propyl-;avermectin H2B1b;H2B1b avermectin;Ivermectin Component B1b

Chemical Property of Ivermectin B1b

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 934.1°C at 760 mmHg
• PKA: 12.42±0.70(Predicted)
• Flash Point: 267.2°C
• PSA: 170.06000
• Density: 1.24g/cm³
• LogP: 5.21130
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 7
• Exact Mass: 860.49220697
• Heavy Atom Count: 61
• Complexity: 1660

Purity/Quality:

99% ^*data from raw suppliers

Ivermectin B1b ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2(CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)OC1C(C)C
• Isomeric SMILES: C[C@H]1CC[C@]2(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)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)O[C@@H]1C(C)C
• Uses: Ivermectin B1b (dihydroavermectin B1b) is the minor component (<20%) of the commercial anthelmintic, ivermectin. Members of the avermectin/milbemycin anthelmintic class exert their anthelmintic effects by binding to glutamate-gated chloride channels expressed on nematode neurones and pharyngeal muscle cells. The avermectin/milbemycins are also potent insecticides. In vitro, the B1b (25-iso-propyl) analogue is slightly more potent than the 25-sec-butyl (B1a) analogue as an inhibitor of nematode larval development and paralysis, and also a more sensitive probe for ivermectin resistance. Ivermectin B1b is a minor component of Ivermectin (I940800), a semi-synthetic derivative of Abamectin; consists of a mixture of not less than 80% component B1a and not more than 20% component B1b. Antihelmintic (Onchocerca). An invitro inhibitor of SARS-CoV-2/ Covid-19.