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Amikacin disulfate

CAT: 0926-AA17356-01Size: 0.05 kgDry Ice: NoHazardous: No
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CAT#:0926-AA17356-01Size:0.05 kg
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CAS Number
39831-55-5
Synonyms
O-3-Amino-3-deoxy-a-D-glucopyranosyl- (1→6) -O-[6-amino-6-deoxy-a-D-glucopyranosyl- (1→4) ]-N1-[ (2S) -4-amino-2-hydroxy-1-oxobutyl]-2-deo xy-D-streptamine sulfate;1-N-[L- (-) -gamma-Amino-a-hydroxybutyryl]kanamycin A sulfate; Amiglyde V; Amikacin disulfate salt
MDL Number
MFCD00167475
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.OS (=O) (=O) O.OS (=O) (=O) O
Molecular Formula
C22H43N5O13·2H2SO4
Molecular Weight
781.76 g/mol
Controlled
No

Chemical Information

Amikacin Sulfate

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

CAS Number39831-55-5
PubChem CID38351
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;sulfuric acid
Molecular FormulaC22H47N5O21S2
Molecular Weight781.8
Topological Polar Surface Area498
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count25
Rotatable Bond Count10
Heavy Atom Count50
Formal Charge0
Complexity900
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.OS(=O)(=O)O.OS(=O)(=O)O
InChI
InChI=1S/C22H43N5O13.2H2O4S/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;2*1-5(2,3)4/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36);2*(H2,1,2,3,4)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+;;/m0../s1
InChIKey
FXKSEJFHKVNEFI-GCZBSULCSA-N
Chemical Structure
2D Structure
2D structure of Amikacin Sulfate
CAS: 39831-55-5
CID: 38351
Formula: C22H47N5O21S2
MW: 781.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight781.8
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count25
Rotatable Bond Count10
Exact Mass781.22049587
Monoisotopic Mass781.22049587
Topological Polar Surface Area498 Ų
Heavy Atom Count50
Formal Charge0
Complexity900
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes