Cas no 51025-85-5 (Arbekacin)

Arbekacin structure
Arbekacin structure
Product Name:Arbekacin
CAS No:51025-85-5
MF:C22H44N6O10
MW:552.6189661026
CID:55929
PubChem ID:68682
Update Time:2025-04-18

Arbekacin Chemical and Physical Properties

Names and Identifiers

    • Arbekacin
    • Arbekacin [INN]
    • Arbekacina
    • Arbekacina [Spanish]
    • Arbekacine
    • Arbekacine [French]
    • Arbekacinum
    • Arbekacinum [Latin]
    • D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-ery
    • Haberacin
    • O-3-Amino-3-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1-6))-N'-((2S)-4-amino-2-hydroxybutyryl)-2-deoxy-L-streptamine
    • (2S)-4-Amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[(2R,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-cyclohexyl]-2-hydroxy-but
    • (2S)-4-Amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[(2R,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-cyclohexyl]-2-hydroxy-butanamide
    • (S)-4-amino-N-((1R,2S,3S,4R,5S)-5-amino-2-(((2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-(((2R,3R,6S)-3-amino-6-(aminomethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-hydroxycyclohexyl)-2-hydroxybutanamide
    • DB06696
    • G7V6SLI20L
    • CHEMBL426926
    • ME-1100
    • Arbekacin (INN)
    • MKKYBZZTJQGVCD-XTCKQBCOSA-N
    • O-3-Amino-3-deoxy-alpha-D-glucopyranosyl-(1->4)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1->6))-N'-((2S)-4-amino-2-hydroxybutyryl)-2-deoxy-L-streptamine
    • D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1-4))-N1-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-
    • 51025-85-5
    • GTPL7345
    • DKB-AHB
    • O-3-AMINO-3-DEOXY-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-O-(2,6-DIAMINO-2,3,4,6-TETRADEOXY-.ALPHA.-D-ERYTHRO-HEXOPYRANOSYL-(1->6))-N'-((2S)-4-AMINO-2-HYDROXYBUTYRYL)-2-DEOXY-L-STREPTAMINE
    • NPC-14
    • D07462
    • D-STREPTAMINE, O-3-AMINO-3-DEOXY-.ALPHA.-D-GLUCOPYRANOSYL-(1->6)-O-(2,6-DIAMINO-2,3,4,6-TETRADEOXY-.ALPHA.-D-ERYTHRO-HEXOPYRANOSYL-(1->4))-N1-((2S)-4-AMINO-2-HYDROXY-1-OXOBUTYL)-2-DEOXY-
    • DTXSID8048319
    • SCHEMBL18413
    • CHEBI:37922
    • ARBEKACIN [MI]
    • ME1100
    • (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
    • UNII-G7V6SLI20L
    • (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-4-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyloxy)-3-hydroxycyclohexyl]-2-hydroxybutanamide
    • NCGC00167530-01
    • 1665RB; AHB-DKB; Arbecacin;HABA-DKB; HBK
    • D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1-4))-N(sup 1)-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-
    • Q4784668
    • (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-4-[(2R,3R,6S)-3-amino-6-(aminomethyl)tetrahydropyran-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]-2-hydroxy-butanamide
    • 51025-85-5 (free base)
    • (S)-4-amino-N-((1R,2S,3S,4R,5S)-5-amino-2-((2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-4-((2R,3R,6S)-3-amino-6-(aminomethyl)tetrahydro-2H-pyran-2-yloxy)-3-hydroxycyclohexyl)-2-hydroxybutanamide
    • Butanamide, 4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-.alpha.-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-.alpha.-D-erythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl]-2-hydroxy-, (2S)-
    • AKOS025149466
    • ARBEKACIN [WHO-DD]
    • Arbekacin sulfate [JAN]
    • (2S)-4-amino-N-{(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide
    • 84G
    • Butanamide, 4-amino-N-((1R,2S,3S,4R,5S)-5-amino-2-((3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy)-4-((2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)oxy)-3-hydroxycyclohexyl)-2-hydroxy-, (2S)-
    • (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
    • D-STREPTAMINE, O-3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL-(1->6)-O-(2,6-DIAMINO-2,3,4,6-TETRADEOXY-ALPHA-D-ERYTHRO-HEXOPYRANOSYL-(1->4))-N1-((2S)-4-AMINO-2-HYDROXY-1-OXOBUTYL)-2-DEOXY-
    • 4-amino-N-(5-amino-2-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[3-amino-6-(aminomethyl)oxan-2-yl]oxy}-3-hydroxycyclohexyl)-2-hydroxybutanamide
    • J01GB12
    • Arbekacinum (Latin)
    • DTXCID0028294
    • (2S)-4-amino-N-((1R,2S,3S,4R,5S)-5-amino-2-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-4-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyloxy)-3-hydroxycyclohexyl)-2-hydroxybutanamide
    • 4-amino-2-hydroxybutylyldibekacin
    • 4-amino-N-(5-amino-2-((4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-4-((3-amino-6-(aminomethyl)oxan-2-yl)oxy)-3-hydroxycyclohexyl)-2-hydroxybutanamide
    • 1-N-((S)-4-amino-2-hydroxybutyryl)dibekacin
    • (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
    • MDL： MFCD00864919
    • 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
    • InChI Key： MKKYBZZTJQGVCD-XTCKQBCOSA-N
    • SMILES： O([C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)N)O)[C@@H]1[C@H]([C@@H]([C@H](C[C@H]1NC([C@H](CCN)O)=O)N)O[C@@H]1[C@@H](CC[C@@H](CN)O1)N)O

Computed Properties

  • Exact Mass: 552.31212
  • Monoisotopic Mass: 552.312
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 11
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 11
  • Complexity: 757
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 14
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 297A^2
  • XLogP3: -6.8

Experimental Properties

  • Density: 1.47
  • Boiling Point: 904 °C at 760 mmHg
  • Flash Point: 904 °C at 760 mmHg
  • Refractive Index: 1.634
  • PSA: 297.27
  • LogP: -2.50700

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