아미카신황산염

Amikacin Sulfate Salt

HCID 5458175CAS 149022-22-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 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
분자식: C22H45N5O17S
평균 분자량: 683.7 g/mol
단동위원소 질량: 683.25311616

이름 및 식별자

우선 이름: 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
현지명: 아미카신황산염
영어명: Amikacin sulfate salt
분자식: C22H45N5O17S
분자량: 683.68

이름 및 동의어

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

이름 더 보기

아미카신황산염liusuanamukaxonmAMIKASIN 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)

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 415 Å²
수소 결합 공여자 수: 15
수소 결합 수용자 수: 21
회전 가능 결합 수: 10
무거운 원자 수: 45
형식 전하: 0
복잡도: 900

물리화학적 성질

저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 2 O: · H2O: 용해성50mg/mL
물리적 상태: 고체
색상: 흰색에서 황백색까지
생물학적 소스: 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

안전 및 규제

안전 데이터

wgk: 2
rtecs: WK1961200
Hazard Classifications: Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Amikacin 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 .

일반 설명Chemical structure: aminoglycoside