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3577-01-3 分子结构
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(6R,7R)-3-[(acetyloxy)methyl]-7-[(2R)-2-amino-2-phenylacetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

ChemBase编号:571
分子式:C18H19N3O6S
平均质量:405.42496
单一同位素质量:405.09945634
SMILES和InChIs

SMILES:
S1[C@H]2N(C(=O)[C@H]2NC(=O)[C@H](N)c2ccccc2)C(=C(C1)COC(=O)C)C(=O)O
Canonical SMILES:
CC(=O)OCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)[C@@H](c1ccccc1)N
InChI:
InChI=1S/C18H19N3O6S/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13-,17-/m1/s1
InChIKey:
FUBBGQLTSCSAON-PBFPGSCMSA-N

引用这个纪录

CBID:571 http://www.chembase.cn/molecule-571.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
(6R,7R)-3-[(acetyloxy)methyl]-7-[(2R)-2-amino-2-phenylacetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC传统名
cephaloglycin
商标名
CEG
Cefaloglicina [INN-Spanish]
Cefaloglycin
Cefaloglycine [INN-French]
Cefaloglycinum [INN-Latin]
Cephaloglycin anhydrous
Cephaloglycine
Cephaoglycin acid
D-Cephaloglycine
Kafocin
Kefglycin
别名
Cephaloglycin
CAS号
3577-01-3
PubChem SID
46506850
160964034
PubChem CID
19150

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID
DrugBank DB00689 external link
PubChem 19150 external link
数据来源 数据ID 价格

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 3.3389544  质子受体
质子供体 LogD (pH = 5.5) -2.9821522 
LogD (pH = 7.4) -3.236588  Log P -2.9842465 
摩尔折射率 99.8998 cm3 极化性 39.14402 Å3
极化表面积 139.03 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P 0.54  LOG S -3.44 
溶解度 1.48e-01 g/l 

分子性质

分子性质

理化性质 生物活性(PubChem)
溶解度
154 mg/L expand 查看数据来源
疏水性(logP)
-0.3 expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank
DrugBank -  DB00689 external link
Item Information
Drug Groups approved
Description A cephalorsporin antibiotic. [PubChem]
Indication For treatment of severe infections caused by susceptible bacteria.
Pharmacology Cephaloglycin is an antibiotic related to cephalosporin but no longer in common use. It is an orally absorbed derivative of cephalosporin C.
Toxicity Adverse effects following overdosage include nausea, vomiting, epigastric distress, diarrhea, and convulsions.
Affected Organisms
Enteric bacteria and other eubacteria
Absorption Well absorbed following oral administration.
References
Tune BM, Hsu CY: The renal mitochondrial toxicity of beta-lactam antibiotics: in vitro effects of cephaloglycin and imipenem. J Am Soc Nephrol. 1990 Nov;1(5):815-21. [Pubmed]
Tune BM, Fravert D, Hsu CY: Oxidative and mitochondrial toxic effects of cephalosporin antibiotics in the kidney. A comparative study of cephaloridine and cephaloglycin. Biochem Pharmacol. 1989 Mar 1;38(5):795-802. [Pubmed]
External Links
Wikipedia

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Tune BM, Hsu CY: The renal mitochondrial toxicity of beta-lactam antibiotics: in vitro effects of cephaloglycin and imipenem. J Am Soc Nephrol. 1990 Nov;1(5):815-21. Pubmed
  • Tune BM, Fravert D, Hsu CY: Oxidative and mitochondrial toxic effects of cephalosporin antibiotics in the kidney. A comparative study of cephaloridine and cephaloglycin. Biochem Pharmacol. 1989 Mar 1;38(5):795-802. Pubmed
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专利

专利

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