Molecular Identity
Arbekacin
(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
PubChem CID: 68682
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.
2D Structure
Properties
C22H44N6O10
Molecular Formula
552.60
Molecular Weight
g/mol
552.3119
Exact Mass
Da
-6.8
XLogP
Drug-like (Lipinski: < 5)
297
TPSA
May have limited oral absorption
11
H-Bond Donors
15
H-Bond Acceptors
757
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Arbekacin51025-85-5ArbekacinaHaberacinArbekacineArbekacinumG7V6SLI20LME1100ME-1100NPC-14(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-hydroxybutanamideDTXSID8048319CHEBI:37922(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,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide(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,6S)-3-amino-6-(aminomethyl)oxan-2-yl)oxy)-3-hydroxycyclohexyl)-2-hydroxybutanamide
Data from PubChem (NCBI)
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