(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxylatopropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydron

HCID 71587366CAS 97148-38-4

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)(O/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CS[C@H]12)c1csc(N)n1)C(=O)[O-].[H+]
InChIKey: ORFOPKXBNMVMKC-KZBLUZIOSA-N
分子式: C22H22N6O7S2
平均分子量: 546.6 g/mol
単同位体質量: 546.09913904

概要

See also: Ceftazidime anhydrous, (E)- (preferred).

名称と識別子

優先名称: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxylatopropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydron
IUPAC: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxylatopropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydron
英語名: Ceftazidime EP Impurity B
分子式: C22H22N6O7S2
分子量: 546.58

名称と別名

(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxylatopropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydronHydrogen (6R,7R)-7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxylatopropan-2-yl)oxy]imino}acetyl]amino}-8-oxo-3-[(pyridin-1-ium-1-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateCeftazidime EP Impurity BCeftazidime Impurity B(EP)Injection Cefotaxime impurity BE-Ceftazidime Ceftazidime Impurity BCeftazidime EP Impurity B(E-Ceftazidime)E-Ceftazidime Ceftazidime Impurity B (EP)Ceftazidime Impurity B (EP) (E-Ceftazidime)(6R,7R)-7-((E)-2-(2-aminothiazol-4-yl)-2-(((2-carboxypropan-2-yl)oxy)imino)acetamido)-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate(6R,7R)-7-({(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-[(1-carboxy-1-methylethoxy)imino]ethanoyl}amino)-8-oxo-3-(1-pyridiniumylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate(6R,7R)-7-((E)-2-(2-Aminothiazol-4-yl)-2-(((2-carboxypropan-2-yl)oxy)imino)acetamido)-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate? (Ceftazidime Impurity)

データベース識別子

CAS: 97148-38-4
PubChem CID: 71587366
DTXSID: DTXSID10242717
UNII: UU1494IX6R

物性

構造計算による物性

極性表面積: 248 Å²
水素結合供与体数: 3
水素結合受容体数: 12
回転可能結合数: 7
重原子数: 37
形式電荷: 0
複雑度: 1,020

物理化学的性質

溶解性: DMSO (Slightly), Methanol (Slightly, Sonicated)
外見: Solid
酸解離定数(Pka): 2.426 · 2.426±0.50(predicted)
色: Pale Brown to Light Brown
安定性: Hygroscopic

化学と産業

応用分野

使用E-Ceftazidime is an impurity of Ceftazidime Pentahydrate (C244100); which is a third generation cephalosporin antibiotic.

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