84D

Dibekacin

Created:	2016-12-23
Last modified:	2021-03-13

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3 entries where 84D is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	68
Chiral Atom Count	13
Bond Count	70
Aromatic Bond Count	0

2D diagram of 84D

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Chemical Component Summary
Name	Dibekacin
Synonyms	(1R,2S,3S,4R,6S)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside
Systematic Name (OpenEye OEToolkits)	(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(1~{S},2~{S},3~{R},4~{S},6~{R})-3-[(2~{R},3~{R},6~{S})-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-4-azanyl-6-(hydroxymethyl)oxane-3,5-diol
Formula	C₁₈ H₃₇ N₅ O₈
Molecular Weight	451.515
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C3C(N)C(OC2C(N)CC(C(OC1OC(C(O)C(C1O)N)CO)C2O)N)OC(C3)CN
SMILES	CACTVS	3.385	NC[CH]1CC[CH](N)[CH](O1)O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](CO)[CH](O)[CH](N)[CH]3O)[CH]2O
SMILES	OpenEye OEToolkits	2.0.6	C1CC(C(OC1CN)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CO)O)N)O)N)N)N
Canonical SMILES	CACTVS	3.385	NC[C@@H]1CC[C@@H](N)[C@H](O1)O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O
Canonical SMILES	OpenEye OEToolkits	2.0.6	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)N)N)N
InChI	InChI	1.03	InChI=1S/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2/t6-,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1
InChIKey	InChI	1.03	JJCQSGDBDPYCEO-XVZSLQNASA-N

Drug Info: DrugBank

DrugBank ID	DB13270
Name	Dibekacin
Groups	approved
Description	Dibekacin is an aminoglycoside antibiotic marketed in Japan [L5623].
Synonyms	Dibekacin Dibekacin sulfate Dibekacine Dibekacinum Dibekacina
Categories	Agents that produce neuromuscular block (indirect) Aminoglycoside Antibacterials Anti-Bacterial Agents Anti-Infective Agents Antibacterials for Systemic Use Antiinfectives for Systemic Use Carbohydrates Drugs that are Mainly Renally Excreted Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index Glycosides Narrow Therapeutic Index Drugs Nephrotoxic agents Ophthalmologicals Sensory Organs
ATC-Code	S01AA29 J01GB09
CAS number	34493-98-6

Related Resource References

Resource Name	Reference
PubChem	470999
ChEMBL	CHEMBL560976
ChEBI	CHEBI:37945

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.