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Ivermectin-[d2]

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General Information
Catalog: BLP-005810
Molecular Formula: C48H72D2O14
Molecular Weight: 877.11

Chemical Structure

Description	Ivermectin-[d2] is the labelled analogue of Ivermectin, which is a semi-synthetic derivative of Abamectin consisting of a mixture of not less than 80% component B1a and not more than 20% component B1b. Antihelmintic (Onchocerca). An in vitro inhibitor of SARS-CoV-2/Covid-19.
Synonyms	22,23-Dihydroavermectin B1-d2; 22,23-Dihydro C-076B1-d2; Heartgard 30; Ivomec-d2; Ivosint-d2; Mectizan-d2; Stromectol-d2; Uvemec-d2; Vermic-d2; Zimecterin-d2
IUPAC Name	(1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
Related CAS	70288-86-7 (unlabelled)
Canonical SMILES	CCC(C)C1C(CCC2(O1)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)C
InChI	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
InChI Key	AZSNMRSAGSSBNP-XPNPUAGNSA-N
Melting Point	158-160°C
Purity	98% by CP; 97% atom D
Solubility	Slightly soluble in DMSO, Methanol
Appearance	Off-white to Pale Beige Solid
Storage	Store at -20°C