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Arbekacin

CAT: 0931-T21051-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T21051-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
51025-85-5
Target
Others, Antibacterial, Antibiotic
Related Pathways
Others, Microbiology/Virology
Bioactivity
Arbekacin is an aminoglycoside antibiotic.
Smiles
O([C@H]1[C@H](NC([C@H](CCN)O)=O)C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@@H]1O)[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O
Molecular Formula
C22H44N6O10
Molecular Weight
552.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Arbekacin

Arbekacin is a kanamycin that is kanamycin B bearing an N-(2S)-4-amino-2-hydroxybutyryl group on the aminocyclitol ring. It has a role as an antimicrobial agent, an antibacterial agent, an antibacterial drug and a protein synthesis inhibitor. It is a member of kanamycins and an aminoglycoside. It is functionally related to a kanamycin B.

CAS Number51025-85-5
PubChem CID68682
IUPAC Name(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
Molecular FormulaC22H44N6O10
Molecular Weight552.6
XLogP-6.8
Topological Polar Surface Area297
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count10
Heavy Atom Count38
Formal Charge0
Complexity757
SMILES
C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)NC(=O)[C@H](CCN)O)N)N
InChI
InChI=1S/C22H44N6O10/c23-4-3-12(30)20(34)28-11-5-10(26)18(37-21-9(25)2-1-8(6-24)35-21)17(33)19(11)38-22-16(32)14(27)15(31)13(7-29)36-22/h8-19,21-22,29-33H,1-7,23-27H2,(H,28,34)/t8-,9+,10-,11+,12-,13+,14-,15+,16+,17-,18+,19-,21+,22+/m0/s1
InChIKey
MKKYBZZTJQGVCD-XTCKQBCOSA-N
Chemical Structure
2D Structure
2D structure of Arbekacin
CAS: 51025-85-5
CID: 68682
Formula: C22H44N6O10
MW: 552.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight552.6
XLogP3-6.8
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count10
Exact Mass552.31189162
Monoisotopic Mass552.31189162
Topological Polar Surface Area297 Ų
Heavy Atom Count38
Formal Charge0
Complexity757
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AR-A06944-01Arbekacin
RM-A181100-01Arbekacin Sulfate
CS-O-53790Arbekacin-d4
AR-A06945-01Arbekacin-d4 Sulfate
TRC-A767415-5MGArbekacin Sulfate (Technical Grade)
441743-01Arbekacin Sulfate discontinued. See 257219

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