기본 정보
- CAS
478494-71-2- 표준 SMILES
O=C(Cn1cnnn1)N[C@@H]1C(=O)N2C(C(=O)O)=C(CO)CS[C@H]12- InChIKey
YGQTUWKIILQPEL-GMSGAONNSA-N- 분자식
- C11H12N6O5S
- 평균 분자량
- 340.32 g/mol
- 단동위원소 질량
- 340.05898868
이름 및 식별자
- 우선 이름
- Cefazolin 3-Hydroxymethyl Impurity
- IUPAC
- (6R,7R)-3-(hydroxymethyl)-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 현지명
- Des[(5-메틸-1,3,4-티아디아졸-2-일)티오]세파졸린-3-메탄올
- 영어명
- Des[(5-Methyl-1,3,4-thiadiazol-2-yl)thio] Cefazolin-3-Methanol
- 분자식
- C11H12N6O5S
- 분자량
- 340.32
이름 및 동의어
478494-71-2Cefazolin 3-hydroxymethylWK7TY2EQP9Des[(5-methyl-1,3,4-thiadiazol-2-yl)thio] Cefazolin-3-methanol(6R,7R)-3-(Hydroxymethyl)-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-7-(2-(1H-tetrazol-1-yl)acetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidCefazolin 3-Hydroxymethyl Impurity(6R,7R)-3-(Hydroxymethyl)-8-oxo-7-((2-(1H-tetrazol-1-yl)acetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid(6R,7R)-7-(2-(1H-Tetrazol-1-yl)acetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-((2-(1H-tetrazol-1-yl)acetyl)amino)-, (6R,7R)-UNII-WK7TY2EQP9Cefazolin 3-Hydroxymethyl Impurity Sodium Salt
이름 더 보기
Des[(5-메틸-1,3,4-티아디아졸-2-일)티오]세파졸린-3-메탄올Cefazolin Impurity E(EP)Cefazolin USP Impurity CCefazolin USP impurity O
물성
구조 계산 물성
- XLogP
- -2.3
- 극성 표면적
- 176 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 583
물리화학적 성질
- 밀도
- 2.05 · 2.05±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.76 · 2.76±0.50(Predicted)
화학 및 산업
응용 분야
용도Des[(5-Methyl-1,3,4-thiadiazol-2-yl)thio] Cefazolin-3-methanol is an impurity of Cefazolin (C242500). Cefazolin impurity X3.
공급사30 곳
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