기본 정보
- CAS
58152-03-7- 표준 SMILES
CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)CN)OC[C@]1(C)O- InChIKey
UDIIBEDMEYAVNG-ZKFPOVNWSA-N- 분자식
- C22H43N5O12
- 평균 분자량
- 569.6 g/mol
- 단동위원소 질량
- 569.29082182
개요
Isepamicin is a broad-spectrum aminoglycoside antibiotic structurally related to gentamicin and amikacin. Isepamicin has activity similar to amikacin but with better activity against bacterial strains with resistance to other aminoglycosides, such as strains producing 6'-N-aminoglycoside acetyltransferase. Isepamicin is not metabolized and is excreted via the kidneys. This agent exerts a long postantibiotic effect allowing for once daily dosing.
이름 및 식별자
- 우선 이름
- Isepamicin
- IUPAC
- (2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide
- 영어명
- Isepamicine
- 분자식
- C22H43N5O12
- 분자량
- 569.6
이름 및 동의어
IsepamicinIsepamicine58152-03-7HAPA-BIsepamicinaSch 21420HAPA-gentamycin BIsepamicinumSch-21420G7K224460PDTXSID1048380(2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide
이름 더 보기
ISEPAMICIN SULPHATEsch21420Isemapicinhapa-gentamycinbIsepamicine USP/EP/BP(s)-y-1-oxopropyl)-2-deoxyIsepamicin Sulfate Impurity Ⅲ:Isepamicine
D-Streptamine, O-6-amino-6-deoxy-alpha-D-glucopyranosyl-(1->4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1->6))-N(sup 1)-(3-amino-2-hydroxy-1-oxopropyl)-2-deoxy-, (S)-D-Streptamine, O-6-amino-6-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6))-N1-(3-amino-2-hydroxy-1-oxopropyl)-2-deoxy-, (S)-(2S)-3-amino-N-((1R,2S,3S,4R,5S)-5-amino-4-((2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl)oxy-2-((2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl)oxy-3-hydroxycyclohexyl)-2-hydroxypropanamideRefChem:7915071-N-HAPA-gentamicin BCHEBI:37951J01GB11DTXCID601508530
데이터베이스 식별자
- CAS
58152-03-7- PubChem CID
- 3037209
- DTXSID
DTXSID1048380- ChEMBL
CHEMBL272080- UNII
- G7K224460P
- EC Number
- 261-143-4
- Nikkaji
- J22.232A
물성
구조 계산 물성
- XLogP
- -6.9
- 극성 표면적
- 298 Ų
- 수소 결합 공여자 수
- 12
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 817
물리화학적 성질
- 끓는 점
- 633.08 °C · 633.08°C (rough estimate)
- 밀도
- 1.3531 · 1.3531 (rough estimate)
- 굴절률
- 1.75 · 1.7500 (estimate)
- 산도 계수 (pKa)
- 11.01 · 11.01±0.35(Predicted)
안전 및 규제
독성 정보
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
Isepamicin
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
화학 및 산업
약리 정보
ATC Code
J - Antiinfectives for systemic use
QJ - Antiinfectives for systemic use
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
응용 분야
개요Isepamicin is a aminoglycoside antibiotic indicated for use in the treatment of urinary and respiratory tract infections. Although it is less potent than most other aminoglycosides, it is also less nephrotoxic. The broad-spectrum activity of isepamicin generally parallels that of amikacin in vitro.
용도Antibacterial (aminoglyco side).
상·하류 제품 정보
상류 원료
공급사26 곳
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