기본 정보
- CAS
953037-71-3- 표준 SMILES
CCO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Sc3nc(-c4cc[n+](C)cc4)cs3)CS[C@H]12)c1nsc(N)n1- InChIKey
RGFBRLNVZCCMSV-BPFABALNSA-N- 분자식
- C22H20N8O5S4
- 평균 분자량
- 604.7 g/mol
- 단동위원소 질량
- 604.04395046
이름 및 식별자
- 우선 이름
- (6R,7R)-7-(2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(ethoxyimino)acetamido)-3-((4-(1-methylpyridin-1-ium-4-yl)thiazol-2-yl)thio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- IUPAC
- (6R,7R)-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- 현지명
- 세프타롤린포사밀불순물6
- 영어명
- Ceftaroline Fosamil Impurity 6
- 분자식
- C22H20N8O5S4
- 분자량
- 604.69
이름 및 동의어
953037-71-3(6R,7R)-7-(2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(ethoxyimino)acetamido)-3-((4-(1-methylpyridin-1-ium-4-yl)thiazol-2-yl)thio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate(6R,7R)-7-[[(2E)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateCeftarolineFosamilImpurityU3-E/ZRGFBRLNVZCCMSV-BIRGHMBHSA-N(6R,7R)-7-[[(2Z)-2-(ethoxyimino)-2-[5-(amino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-3-[[4-(1-methylpyridinium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicylo[4.2.0]oct-2-ene-2-carboxylate세프타롤린포사밀불순물6Ceprolin impurity U3Cefrooxime impurity 11Talabostat Impurity 32Ceftaroline Impurity U3(6R,7R)-7-((E)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(ethoxyimino)acetamido)-3-((4-(1-methylpyridin-1-ium-4-yl)thiazol-2-yl)thio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
이름 더 보기
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 287 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 1,040
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