Compound Summary
Compound Information
IVERMECTIN
Compound Name: | IVERMECTIN |
Compound CID: | 6321424 |
Synonyms: | IVERMECTIN Ivermectin B1a 70288-86-7 Dihydroavermectin B1a 22,23-Dihydroavermectin B1a More... |
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 |
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 |
InChIKey: | AZSNMRSAGSSBNP-XPNPUAGNSA-N |
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 |
Isomeric Smiles: | CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)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)C |
Molecular Weight: | 875.1 |
Molecular Formula: | C48H74O14 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
IVERMECTIN
Molecular Weight: | 875.1 |
Molecular Formula: | C48H74O14 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 14 |
Rotatable Bond Count: | 8 |
Heavy Atom Count: | 62 |
Complexity: | 1680 |
Synonyms
IVERMECTIN
| IVERMECTIN | IVERMECTIN |
|---|---|
IVERMECTIN |
Ivermectin B1a |
70288-86-7 |
Dihydroavermectin B1a |
22,23-Dihydroavermectin B1a |
avermectin H2B1a |
UNII-91Y2202OUW |
71827-03-7 |
70161-11-4 |
Ivermectin Component B1a |
CHEBI:63941 |
91Y2202OUW |
(2ae,4e,5s,6s,6r,7s,8e,11r,13r,15s,17ar,20r,20ar,20bs)-6-(2s)-Butan-2-Yl-20,20b-Dihydroxy-5,6,8,19-Tetramethyl-17-Oxo-3,4,5,6,6,10,11,14,15,17,17a,20,20a,20b-Tetradecahydro-2h,7h-Spiro11,15-Methanofuro4,3,2-Pq2,6benzodioxacyclooctadecine-13,2-Pyran-7-Yl 2,6-Dideoxy-4-O-(2,6-Dideoxy-3-O-Methyl-Alpha-L-Arabino-Hexopyranosyl)-3-O-Methyl-Alpha-L-Arabino-Hexopyranoside |
5-O-demethyl-22,23-dihydroavermectin A1a |
(1R,4S,5S,6R,6R,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-yloxy-4-methoxy-6-methyloxan-2-yloxy-5,11,13,22-tetramethylspiro3,7,19-trioxatetracyclo15.6.1.14,8.020,24pentacosa-10,14,16,22-tetraene-6,2-oxane-2-one |
C48H74O14 (B1a form) |
Ivermectin B1a-d2 |
MK-933 |
C48H74O14 |
22,23-Dihydroavermectin B(1)a |
NCGC00163233-01 |
Ivermectin (IVM) |
IVM |
EINECS 276-046-2 |
dihydro avermectin Bla |
BRN 4643153 |
22,23-Dihydro-5-O-demethylavermectin A1a |
H2B1a |
Prestwick3_000156 |
DSSTox_CID_3181 |
Ivermectin (MK-0933) |
DSSTox_RID_76909 |
DSSTox_GSID_23181 |
BSPBio_000292 |
SCHEMBL312795 |
BPBio1_000322 |
CHEMBL263291 |
DTXSID8023181 |
CHEBI:94551 |
HMS2089M09 |
HMS2095O14 |
HMS3712O14 |
WCA82703 |
Tox21_112034 |
BDBM50409816 |
MFCD00869511 |
s1351 |
AKOS027470116 |
ZINC238808778 |
ZINC252286706 |
AC-6014 |
CCG-220156 |
NCGC00186639-01 |
NCGC00186639-03 |
AS-14167 |
BI166167 |
CAS-71827-03-7 |
HY-126937 |
AB00513813 |
CS-0108408 |
J10179 |
22,23-DIHYDROAVERMECTIN B1A; IVERMECTIN |
AB00513813-02 |
AB00513813-03 |
AB00513813_04 |
Avermectin A1a, 22,23-dihydro-5-O-demethyl- |
288I867 |
Ivermectin, Antibiotic for Culture Media Use Only |
Q-201262 |
BRD-K24652731-001-02-7 |
BRD-K85554912-001-08-9 |
Q27132923 |
Ivermectin, British Pharmacopoeia (BP) Reference Standard |
Ivermectin, European Pharmacopoeia (EP) Reference Standard |
UNII-8883YP2R6D component AZSNMRSAGSSBNP-XPNPUAGNSA-N |
Ivermectin, United States Pharmacopeia (USP) Reference Standard |
Ivermectin, Pharmaceutical Secondary Standard; Certified Reference Material |
(2aE,4E,5S,6S,6R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6-(2S)-butan-2-yl-20,20b-dihydroxy-5,6,8,19-tetramethyl-17 |
22,23-Dihydroavermectin B1|||Heartgard 30|||Ivomec|||Ivosint|||Mectizan|||Stromectol|||Uvemec|||Vermic|||Zimecterin |
clooctadecine-13,2-pyran-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside" |
Experimental Data
IVERMECTIN
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Brachionus manjavacas | 1 | umol/L | 33 | 22 | S | B. manjavacas | 29340835 | Active | |||||
| Caenorhabditis elegans | 33 | umol/L | -60 | NS | N2 | 24134630 | Inactive | ||||||
| Brachionus manjavacas | 1 | umol/L | 32 | S | B. manjavacas | FEMALES | 29340835 | Active |
Experimental Data Visualization
IVERMECTIN
Statistics Data
IVERMECTIN
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Brachionus manjavacas | 33 | 22 | 1 | 2 |
| Caenorhabditis elegans | -60 | 1 | 1 |
Statistics Data Visualization
IVERMECTIN
