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Netilmicin sulfate salt

CAT: 0862-GA1999-100mgSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0862-GA1999-100mgSize:100 mg
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CAS Number
56391-57-2
EC Number
260-147-3
MDL Number
MFCD01311715
HS Code
29419000
Purity
595.00μg/mg
Molecular Formula
C21H41N5O7 · 5/2H2SO4
Molecular Weight
1441.5
Storage Conditions
+4°C
Hazardous Class
Not hazardous

Chemical Information

Netilmicin Sulfate

Netilmicin Sulfate can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number56391-57-2
PubChem CID62115
IUPAC Namebis((2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol);sulfuric acid
Molecular FormulaC42H92N10O34S5
Molecular Weight1441.6
Topological Polar Surface Area814
Hydrogen Bond Donor Count26
Hydrogen Bond Acceptor Count44
Rotatable Bond Count16
Heavy Atom Count91
Formal Charge0
Complexity754
SMILES
CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@](CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N.CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@](CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O
InChI
InChI=1S/2C21H41N5O7.5H2O4S/c2*1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20;5*1-5(2,3)4/h2*5,11-20,25-29H,4,6-9,22-24H2,1-3H3;5*(H2,1,2,3,4)/t2*11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+;;;;;/m11...../s1
InChIKey
AGFWIZQEWFGATK-UNZHCMSXSA-N
Chemical Structure
2D Structure
2D structure of Netilmicin Sulfate
CAS: 56391-57-2
CID: 62115
Formula: C42H92N10O34S5
MW: 1441.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1441.6
Hydrogen Bond Donor Count26
Hydrogen Bond Acceptor Count44
Rotatable Bond Count16
Exact Mass1440.4380959
Monoisotopic Mass1440.4380959
Topological Polar Surface Area814 Ų
Heavy Atom Count91
Formal Charge0
Complexity754
Isotope Atom Count0
Defined Atom Stereocenter Count22
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count7
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
N004-100MGNetilmicin sulfate
HY-A0086-01Netilmicin (sulfate)

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