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기본 정보
- 표준 SMILES
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(C)c(CC(=O)O)s3)CS[C@H]12)c1csc(N)n1- InChIKey
XDZKBRJLTGRPSS-BGZQYGJUSA-N- 분자식
- C20H20N6O7S4
- 평균 분자량
- 584.683 g/mol
- 단동위원소 질량
- 584.02763098
이름 및 식별자
- 우선 이름
- Cefodizime
- IUPAC
- (6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-({[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 영어명
- Cefodizime
- 분자식
- C20H20N6O7S4
- 분자량
- 584.67
이름 및 동의어
데이터베이스 식별자
- CAS
69739-16-8- PubChem CID
- 5361871
- DTXSID
DTXSID2022757- ChEMBL
CHEMBL2303613- ChEBI
CHEBI:63214- UNII
- Z31298J4HQ
- EC Number
- 700-301-3
- Nikkaji
- J22.238K
물성
물리화학적 성질
- 녹는점
- 170 °C · >170°C (dec.)
- 밀도
- 1.86 · 1.86±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 1 · pK1 2.85; pK2 3.37; pK3 4.18(at 25℃)
- 색상
- 흰색에서 황백색까지
- InChIKey
- XDZKBRJLTGRPSS-BGZQYGJUSA-N
- SMILES
- N12[C@@]([H])([C@H](NC(/C(/C3=CSC(N)=N3)=N\OC)=O)C1=O)SCC(CSC1=NC(C)=C(CC(O)=O)S1)=C2C(O)=O
화학적 성질
Cefodizime Sodium is a white to light yellowish white crystalline powder. It has no odor or a slightly peculiar odor and has a bitter taste. It is highly soluble in water (around 270g/L) but only sparingly soluble in ethanol or ether.
안전 및 규제
안전 데이터
- risk_code
- 36/37/38-42/43
- hazard_code
- Xi
- safety_code
- 22-26-36/37/39
화학 및 산업
제조 방법
The synthesis of cefodizime involved the following steps:Dissolve 6.1g of (2-mercapto-4-methylthiazol-5-yl) acetic acid in water and adjust the pH to 6.5 by adding 2 mol/L sodium hydroxide.Heat the solution to 70°C and then add a solution of 12g of cefotaxime in 75ml of water with stirring.Keep stirring the mixture at 70°C for 3 hours while maintaining the pH at 6.5 by adding 2 mol/L sodium hydroxide.Cool the mixture to room temperature and acidify it to pH 2.8.Filter the resulting precipitate and wash it with water.Dry the precipitate under vacuum and in the presence of phosphorus pentoxide.As a result, 10g of cefodizime is obtained.Cefodizime, an aminothiazolylcephalosporin. V. Synthesis and structure-activity relationships in the cefodizime series. DOI: 10.7164/antibiotics.40.29
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
추가 설명
정의ChEBI: Cefodizime is a cephalosporin compound having 5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl}methyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups located at positions 3 and 7 respectively. It has a role as an antibacterial drug and an EC 1.14.18.1 (tyrosinase) inhibitor. It is a cephalosporin, a member of 1,3-thiazoles and an oxime O-ether.
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