기본 정보
- 표준 SMILES
C[N+](C)(CC1=C(C(=O)[O-])N2C(=O)[C@@H](N)[C@H]2SC1)Cc1cc(=O)c(O)c[nH]1.Cl.Cl- InChIKey
WVLMBHNMCBLNJX-DGPOFWGLSA-N- 분자식
- C16H22Cl2N4O5S
- 평균 분자량
- 453.3 g/mol
이름 및 식별자
- 우선 이름
- 7beta-amino-3-[N,N-dimethyl-N-{(5-hydroxy-4-oxo-1,4-dihydropyridin-2-yl)methyl}ammonio]methyl-3-cephem-4carboxylate dihydrochloride
- IUPAC
- (6R,7R)-7-amino-3-[[(5-hydroxy-4-oxo-1H-pyridin-2-yl)methyl-dimethylazaniumyl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;dihydrochloride
이름 및 동의어
SCHEMBL9012888WVLMBHNMCBLNJX-DGPOFWGLSA-N7beta -amino-3-[N,N-dimethyl-N-{(5-hydroxy-4-oxo-1,4-dihydropyridin-2-yl)methyl}ammonio]methyl-3-cephem-4carboxylate dihydrochloride7beta-amino-3-[N,N-dimethyl-N-{(5-hydroxy-4-oxo-1,4-dihydropyridin-2-yl)methyl}ammonio]methyl-3-cephem-4-carboxylate dihydrochloride7beta-amino-3-[N,N-dimethyl-N-{(5-hydroxy-4-oxo-1,4-dihydropyridin-2-yl)methyl}ammonio]methyl-3-cephem-4carboxylate dihydrochloride
데이터베이스 식별자
- PubChem CID
- 67748053
물성
구조 계산 물성
- 극성 표면적
- 161 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 780
관련 반응
6건
화합물 노트
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