Compound Summary
Amikacin hydrate
Compound Information
Amikacin hydrate
Compound Name: | Amikacin hydrate |
Compound CID: | 16218899 |
Synonyms: | Amikacin hydrate 1257517-67-1 AMikacin (hydrate) MLS002207279 1257517-67-1 (hydrate) More... |
Iupac Name: | (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide;hydrate |
InChI: | InChI=1S/C22H43N5O13.H2O/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21;/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36);1H2/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+;/m0./s1 |
InChIKey: | DTSOZYYWEZJFSS-XTHCGPPUSA-N |
Canonical Smiles: | C1C(C(C(C(C1NC(=O)C(CCN)O)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CN)O)O)O)N.O |
Isomeric Smiles: | C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N.O |
Molecular Weight: | 603.6 |
Molecular Formula: | C22H45N5O14 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Amikacin hydrate
Molecular Weight: | 603.6 |
Molecular Formula: | C22H45N5O14 |
Hydrogen Bond Donor Count: | 14 |
Hydrogen Bond Acceptor Count: | 18 |
Rotatable Bond Count: | 10 |
Heavy Atom Count: | 41 |
Complexity: | 819 |
Synonyms
Amikacin hydrate
| Amikacin hydrate | Amikacin hydrate |
|---|---|
Amikacin hydrate |
1257517-67-1 |
AMikacin (hydrate) |
MLS002207279 |
1257517-67-1 (hydrate) |
SMR001306795 |
(2S)-4-Amino-N-(1R,2S,3S,4R,5S)-5-amino-2-(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yloxy-4-(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yloxy-3-hydroxycyclohexyl-2-hydroxybutanamide hydrate |
(2S)-4-amino-N-(1R,2S,3S,4R,5S)-5-amino-2-(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yloxy-4-(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yloxy-3-hydroxycyclohexyl |
SCHEMBL2172496 |
CHEMBL1879513 |
BDBM91426 |
cid_16218899 |
C22H43N5O13.H2O |
2212AH |
Amikacin hydrate, aminoglycoside antibiotic |
Amikacin hydrate 100 microg/mL in Acetonitrile:Water |
(2S)-4-amino-N-(1R,2S,3S,4R,5S)-5-amino-2-(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yloxy-4-(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yloxy-3-hydroxycyclohexyl-2-hydroxybutanamide;hydrate |
(S)-4-Amino-N-((1R,2S,3S,4R,5S)-5-amino-2-(((2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-(((2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-3-hydroxycyclohexyl)-2-hydroxybutanamide xhydrate |
Experimental Data
Amikacin hydrate
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Drosophila melanogaster | 200.000000000000000 | umol/L | 43.170000000000000 | 43.980000000000000 | 1.879000000000000 | NS | MALES | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 10.000000000000000 | umol/L | 17.370000000000000 | 17.150000000000000 | -1.277000000000000 | NS | N2 | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 100.000000000000000 | umol/L | 15.860000000000000 | 17.450000000000000 | 10.030000000000000 | S | N2 | 33008901 | Active | ||||
| Drosophila melanogaster | 20.000000000000000 | umol/L | 44.630000000000000 | 48.090000000000000 | 7.747000000000000 | S | FEMALES | 33008901 | Active |
Experimental Data Visualization
Amikacin hydrate
Statistics Data
Amikacin hydrate
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 10.030000000000000 | 1 | 2 | |
| Drosophila melanogaster | 7.747000000000000 | 1 | 2 |
Statistics Data Visualization
Amikacin hydrate
