アミカシン硫酸塩

Amikacin Sulfate Salt

HCID 5458175

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 149022-22-0
標準SMILES: 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.O=S(=O)(O)O
InChIKey: HIBICIOPDUTNRR-XTHCGPPUSA-N
分子式: C22H45N5O17S
平均分子量: 683.7 g/mol
単同位体質量: 683.25311616

名称と識別子

優先名称: Amikacin Sulfate Salt
IUPAC: (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
現地名: アミカシン硫酸塩
英語名: Amikacin sulfate salt
分子式: C22H45N5O17S
分子量: 683.68

名称と別名

Amikacin sulfate saltQB4SJV7YHXRefChem:1076646149022-22-0Amikacin sulfate(5:9)BAY 41-6551 sulfate(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 acidC22H45N5O17SD-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-->6)-O-[6-amino-6-deoxy-alpha-D-glucopyranosyl-(1-->4)]-N1-[(2S)-4-amino-2-hydroxy-1-oxobutyl]-2-deoxy-, sulfate (5:9) (salt) (9CI)(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]-2-hydroxy-butanamide;sulfuric acidSCHEMBL3340MLS000028568

名称をさらに表示

アミカシン硫酸塩liusuanamukaxonmAMIKASIN SULFATEAmikacinsulfatesalAmikacin Impurity 26AMIKACIN SULFATE 1:1.8mikacin disulfate saltAmikacin Sulfate, USP (1:1.8)Amikacin sulfate salt USP/EP/BP

CHEMBL1164318MFCD00167477NCGC00093350-07SMR000058947(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,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-3-hydroxycyclohexyl)-2-hydroxybutanamide sulfate(5:9)D82929(S)-4-amino-N-((1R,2R,3S,4S,5S)-5-amino-2-(((2S,3R,4S,5S,6S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-(((2R,3R,4S,5S,6S)-6-(aminomethyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-3-hydroxycyclohexyl)-2-hydroxybutanamide sulfate(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,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-3-hydroxycyclohexyl)-2-hydroxybutanamidesulfate(5:9)

データベース識別子

CAS: 149022-22-0、39831-55-5
PubChem CID: 5458175
ChEMBL: CHEMBL1164318
UNII: QB4SJV7YHX

物性

構造計算による物性

極性表面積: 415 Å²
水素結合供与体数: 15
水素結合受容体数: 21
回転可能結合数: 10
重原子数: 45
形式電荷: 0
複雑度: 900

物理化学的性質

貯蔵温度: 2 · Inert atmosphere,2-8°C
溶解性: 2 O: · H2O: 可溶性50mg/mL
外見: 個体
色: ホワイトからオフホワイト
由来生物: synthetic
InChIKey: HIBICIOPDUTNRR-BOEHXBESSA-N
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]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O

安全と法規制

安全データ

wgk: 2
rtecs: WK1961200
Hazard Classifications: Skin Sens. 1
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用Amikacin is an aminoglycoside antibiotic commonly used in the treatment of drug-resistant mycobacteria . It is used to study organism-directed delivery of antibiotics as well as drug resistance .

一般的な説明Chemical structure: aminoglycoside