| Description |
Ivermectin B1a-[d2] is the labelled analogue of Ivermectin B1a, which is a major component of ivermectin and a semi-synthetic derivative of abamectin. It is a mixture including not less than 80% component B1a and not more than 20% component B1b. It is used as an antihelmintic. |
| Synonyms |
Ivermectin B1a-d2; 5-O-Demethyl-22,23-dihydro-avermectin A1a-d2; 2,23-Dihydroavermectin B1a-d2; Dihydroavermectin B1a-d2 |
| IUPAC Name |
(3'R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-[(2R)-butan-2-yl]-3',4'-dideuterio-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 |
71827-03-7 (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-/m1/s1/i17D,18D/t17?,18-,25-,26+,28+,30+,31+,33-,34+,35?,36+,37+,38+,39+,40-,41+,42+,43-,44+,45-,47-,48- |
| InChI Key |
AZSNMRSAGSSBNP-HFMZDWJVSA-N |
| Melting Point |
>150°C (dec.) |
| Purity |
≥94%; ≥95% atom D |
| Solubility |
Soluble in DMSO (Slightly), Methanol (Slightly) |
| Appearance |
Pale Beige to Brown Solid |
| Storage |
Store at -20°C under inert atmosphere |
![Ivermectin B1a-[d2]](/isotope.v1/images/structure-default.jpg)
