기본 정보
- CAS
58233-18-4- 표준 SMILES
CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3csc(N)n3)C2SC1- InChIKey
CIFZTJFBDLIEOW-UHFFFAOYSA-N- 분자식
- C15H16N4O6S2
- 평균 분자량
- 412.4 g/mol
- 단동위원소 질량
- 412.05112659
개요
RN given refers to (6R-trans)-isomer; structure given in first source
이름 및 식별자
- 우선 이름
- RU 7-23345
- IUPAC
- 3-(acetyloxymethyl)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 영어명
- (6R-trans)-3-(acetoxymethyl)-7-[(2-aminothiazol-4-yl)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 분자식
- C15H16N4O6S2
- 분자량
- 412.44
이름 및 동의어
RU 7-23345RefChem:180137RU-7-233453-(acetyloxymethyl)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidEINECS 261-175-9CID 93993SCHEMBL8192739DTXSID70973792CIFZTJFBDLIEOW-UHFFFAOYSA-N(6R-trans)-3-(Acetoxymethyl)-7-((2-aminothiazol-4-yl)acetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid3-[(Acetyloxy)methyl]-7-{[1-hydroxy-2-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)ethylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid3-acetoxy-cefotiam
이름 더 보기
Cefotiam Impurity 83-Deacetylation cefotiam3-Acetyloctahydrocefotiam(6R)-3-(Acetyloxymethyl)-7α-[2-aminothiazol-4-yl(acetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-yl)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R-trans)-3-(acetoxymethyl)-7-[(2-aminothiazol-4-yl)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
물성
구조 계산 물성
- XLogP
- -1.2
- 극성 표면적
- 205 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 714
물리화학적 성질
- 끓는 점
- 846.2 · 846.2±65.0 °C(Predicted)
- 밀도
- 1.65 · 1.65±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.67 · 2.67±0.50(Predicted)
화학 및 산업
공급사25 곳
济南百隆化学有限公司[email protected] · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
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孟成科技（上海）有限公司400-820-6829 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
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艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳菲斯生物科技有限公司0755-4000505016 13380397412 · [email protected]
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