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92665-29-7 分子结构
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(6R,7R)-7-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-8-oxo-3-[(1E)-prop-1-en-1-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

ChemBase编号:1021
分子式:C18H19N3O5S
平均质量:389.42556
单一同位素质量:389.10454172
SMILES和InChIs

SMILES:
S1[C@H]2N(C(=O)[C@H]2NC(=O)[C@H](N)c2ccc(O)cc2)C(=C(C1)/C=C/C)C(=O)O
Canonical SMILES:
C/C=C/C1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)[C@@H](c1ccc(cc1)O)N
InChI:
InChI=1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26)/b3-2+/t12-,13-,17-/m1/s1
InChIKey:
WDLWHQDACQUCJR-ZAMMOSSLSA-N

引用这个纪录

CBID:1021 http://www.chembase.cn/molecule-1021.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)-7-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-8-oxo-3-[(1E)-prop-1-en-1-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC传统名
cefprozil
商标名
Arzimol
Brisoral
Cronocef
Procef
Serozil
别名
Cefprozilo [INN-Spanish]
Cefprozil anhydrous
Cefprozilum [INN-Latin]
Cefprozil
(6R,7R)-7-[[(2R)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-(1-propen-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid
BMY 28100
Cefprozile
Cefzil
Cephprozyl
Procef
Prozef
CAS号
92665-29-7
PubChem SID
160964484
PubChem CID
5281006

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 价格
TRC
C243910 external link 加入购物车 请登录

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 3.5293207  质子受体
质子供体 LogD (pH = 5.5) -1.9168022 
LogD (pH = 7.4) -2.175604  Log P -1.9216894 
摩尔折射率 101.2731 cm3 极化性 38.68424 Å3
极化表面积 132.96 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P 0.94  LOG S -3.42 
溶解度 1.49e-01 g/l 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
溶解度
55 mg/L expand 查看数据来源
DMSO expand 查看数据来源
Methanol expand 查看数据来源
外观
Pale Yellow Solid expand 查看数据来源
熔点
215-217°C (dec.) expand 查看数据来源
疏水性(logP)
0.6 expand 查看数据来源
保存条件
-20°C Freezer expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
质检报告
下载链接 expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank TRC TRC
DrugBank -  DB01150 external link
Item Information
Drug Groups approved
Description Cefprozil is a cephalosporin antibiotic. It can be used to treat bronchitis, ear infections, skin infections, and other bacterial infections.
Indication For the treatment of the following infections (respiratory, skin, soft tissue, UTI, ENT) caused by; S. pneumoniae, H. influenzae, staphylococci, S. pyogenes (group A beta-hemolytic streptococci), E. coli, P. mirabilis, Klebsiella sp, coagulase-negative staph
Pharmacology Cefprozil, a semisynthetic, second-generation cephalosporin, is used to treat otitis media, soft-tissue infections, and respiratory tract infections.
Toxicity Single 5000 mg/kg oral doses of cefprozil caused no mortality or signs of toxicity in adult, weaning or neonatal rats, or adult mice. A single oral dose of 3000 mg/kg caused diarrhea and loss of appetite in cynomolgus monkeys, but no mortality.
Affected Organisms
Enteric bacteria and other eubacteria
Biotransformation Cefprozil is eliminated primarily by the kidneys
Absorption Oral bioavailability is approximately 95%.
Half Life 1.3 hours
Protein Binding 36%
Distribution * 0.23 L/kg
Clearance * 3 mL/min/kg [fasting subjects]
External Links
Wikipedia
RxList
PDRhealth
Drugs.com
Toronto Research Chemicals -  C243910 external link
Semisynthetic oral cephalosporin consisting of approx. 90:10 Z/E isomeric mixture. Antibacterial.

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Jones, R.N., et al.: Diagn. Microb. Infect. Dis., 9, 11 (1988)
  • Barbhaiya, R.H., et al.: Antimicrob. Agents Chemother., 34, 1204 (1990)
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专利

专利

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互联网资源

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