Physicochemical Properties
Molecular Formula | C22H43N5O12.XH2SO4 |
Molecular Weight | 665.6657 |
Exact Mass | 665.243 |
CAS # | 67814-76-0 |
Related CAS # | Isepamicin;58152-03-7 |
PubChem CID | 171883 |
Appearance | White to off-white solid powder |
Density | 1.53g/cm3 |
Boiling Point | 926.8ºC at 760mmHg |
Flash Point | 514.3ºC |
Hydrogen Bond Donor Count | 12 |
Hydrogen Bond Acceptor Count | 20 |
Rotatable Bond Count | 9 |
Heavy Atom Count | 44 |
Complexity | 880 |
Defined Atom Stereocenter Count | 15 |
SMILES | S(=O)(=O)([O-])[O-].O([C@]1([H])[C@@]([H])([C@]([H])([C@](C([H])([H])[H])(C([H])([H])O1)O[H])N([H])C([H])([H])[H])O[H])[C@]1([H])[C@]([H])([C@@]([H])([C@]([H])(C([H])([H])[C@@]1([H])N([H])C([C@]([H])(C([H])([H])N([H])[H])O[H])=O)N([H])[H])O[C@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])N([H])[H])O1)O[H])O[H])O[H])O[H] |
InChi Key | DDXRHRXGIWOVDQ-MGAUJLSLSA-L |
InChi Code | InChI=1S/C22H43N5O12.H2O4S/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21;1-5(2,3)4/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34);(H2,1,2,3,4)/p-2/t7-,8+,9-,10+,11+,12-,13+,14-,15+,16+,17-,18+,20+,21+,22-;/m0./s1 |
Chemical Name | (2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide;sulfate |
HS Tariff Code | 2934.99.9001 |
Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
Targets | Aminoglycoside |
References | [1]. Samonis G, et al. Antimicrobial susceptibility of non-fermenting Gram-negative isolates to isepamicin in a region with high antibiotic resistance. Eur J Clin Microbiol Infect Dis. 2012 Nov;31(11):3191-8. |
Additional Infomation | See also: Isepamicin Sulfate (annotation moved to). |
Solubility Data
Solubility (In Vitro) | H2O : 125 mg/mL |
Solubility (In Vivo) |
Solubility in Formulation 1: 100 mg/mL (Infinity mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.  (Please use freshly prepared in vivo formulations for optimal results.) |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 1.5022 mL | 7.5112 mL | 15.0225 mL | |
5 mM | 0.3004 mL | 1.5022 mL | 3.0045 mL | |
10 mM | 0.1502 mL | 0.7511 mL | 1.5022 mL |