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Amikacin sulfate

CAT: 0127-BUP11130-01Size: 25 mgDry Ice: NoHazardous: No
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CAS Number
149022-22-0
Synonyms
Amikacin Sulfate Salt
Purity
=98%
Smiles
OS(O)(=O)=O.NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@H](O[C@H]2O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@H](N)[C@H]1O

Chemical Information

Amikacin Sulfate Salt

See also: Amikacin sulfate 1:1.8 (annotation moved to).

CAS Number149022-22-0
PubChem CID5458175
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 FormulaC22H45N5O17S
Molecular Weight683.7
Topological Polar Surface Area415
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count21
Rotatable Bond Count10
Heavy Atom Count45
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
InChI
InChI=1S/C22H43N5O13.H2O4S/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;1-5(2,3)4/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36);(H2,1,2,3,4)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+;/m0./s1
InChIKey
HIBICIOPDUTNRR-XTHCGPPUSA-N
Chemical Structure
2D Structure
2D structure of Amikacin Sulfate Salt
CAS: 149022-22-0
CID: 5458175
Formula: C22H45N5O17S
MW: 683.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight683.7
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count21
Rotatable Bond Count10
Exact Mass683.25311616
Monoisotopic Mass683.25311616
Topological Polar Surface Area415 Ų
Heavy Atom Count45
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 Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-A578500-1GAmikacin Sulfate
HY-107813-01Amikacin (sulfate)
TRC-A578515-5MGAmikacin B Sulfate
MBS578183Amikacin Sulfate Salt

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