您当前所在的位置:首页 > 产品中心 > 产品详细信息
6990-06-3 分子结构
点击图片或这里关闭

2-[(1S,2S,5R,6S,7S,10S,11S,13S,14Z,15R,17R)-13-(acetyloxy)-5,17-dihydroxy-2,6,10,11-tetramethyltetracyclo[8.7.0.02,7.011,15]heptadecan-14-ylidene]-6-methylhept-5-enoic acid

ChemBase编号:2427
分子式:C31H48O6
平均质量:516.70922
单一同位素质量:516.34508926
SMILES和InChIs

SMILES:
O[C@H]1[C@@H]2[C@@]([C@@]3([C@@H](C1)/C(=C(\CCC=C(C)C)/C(=O)O)/[C@@H](OC(=O)C)C3)C)(CC[C@@H]1[C@@]2(CC[C@@H](O)[C@H]1C)C)C
Canonical SMILES:
CC(=O)O[C@H]1C[C@]2([C@H](/C/1=C(/C(=O)O)\CCC=C(C)C)C[C@H]([C@@H]1[C@]2(C)CC[C@@H]2[C@]1(C)CC[C@H]([C@H]2C)O)O)C
InChI:
InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1
InChIKey:
IECPWNUMDGFDKC-MZJAQBGESA-N

引用这个纪录

CBID:2427 http://www.chembase.cn/molecule-2427.html

Collapse All Expand All

名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
2-[(1S,2S,5R,6S,7S,10S,11S,13S,14Z,15R,17R)-13-(acetyloxy)-5,17-dihydroxy-2,6,10,11-tetramethyltetracyclo[8.7.0.02,7.011,15]heptadecan-14-ylidene]-6-methylhept-5-enoic acid
2-[(1S,2S,5R,6S,7S,10S,11S,13S,14Z,15R,17R)-13-(acetyloxy)-5,17-dihydroxy-2,6,10,11-tetramethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-ylidene]-6-methylhept-5-enoic acid
IUPAC传统名
discoid
ramycin
商标名
Fucidin Cream 2%
Fucithalmic
Fusidine
Ramycin
Fucidin
Fucidin acid
Fucidine
别名
Fusidic acid
Diethanolamine fusidate
Fucidic acid
Fusidate
Fusidate Sodium
Fucidate Sodium
Fucidate
Fusidic Acid
CAS号
6990-06-3
EC号
230-256-0
MDL号
MFCD00865135
PubChem SID
160965878
24894729
46505364
PubChem CID
3000226

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
Sigma Aldrich
F0756 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 4.664285  质子受体
质子供体 LogD (pH = 5.5) 3.5278952 
LogD (pH = 7.4) 1.7501483  Log P 4.4219136 
摩尔折射率 144.1233 cm3 极化性 56.94671 Å3
极化表面积 104.06 Å2 可自由旋转的化学键
里宾斯基五规则 false 
Log P 4.97  LOG S -5.0 
溶解度 5.21e-03 g/l 

分子性质

分子性质

安全信息 生物活性(PubChem)
RTECS编号
RC1350000 expand 查看数据来源
欧盟危险性物质标志
有害性(Harmful) 有害性(Harmful) (Xn) expand 查看数据来源
德国WGK号
3 expand 查看数据来源
危险公开号
22 expand 查看数据来源
安全公开号
36 expand 查看数据来源
GHS危险品标识
GHS07 expand 查看数据来源
GHS警示词
Warning expand 查看数据来源
GHS危险声明
H302 expand 查看数据来源
个人保护装置
dust mask type N95 (US), Eyeshields, Gloves expand 查看数据来源
保存温度
2-8°C expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank Sigma Aldrich Sigma Aldrich
DrugBank -  DB02703 external link
Item Information
Drug Groups approved
Description An antibiotic isolated from the fermentation broth of Fusidium coccineum. (From Merck Index, 11th ed) It acts by inhibiting translocation during protein synthesis.
Indication For the treatment of bacterial infections.
Pharmacology Fusidic acid is a bacteriostatic antibiotic that is often used topically in creams and eyedrops, but may also be given systemically as tablets or injections.
Affected Organisms
Enteric bacteria and other eubacteria
Biotransformation Metabolites include dicarboxylic ester/acid, 3-keto fusidic acid, hydroxy fusidic acid, glucuronide fusidic acid and a glycol metabolite.
Absorption Sodium fusidic acid tablets have a 91% oral bioavailability. Absorption of the film-coated tablets is complete when compared to a solution, however oral absorption is variable. Oral fusidic acid hemihydrate (suspension) achieved a 22.5% bioavailability in pediatric patients following a 20 milligram/kilogram dose.
Half Life Approximately 5 to 6 hours in adults.
Protein Binding 97 to 99%
External Links
Wikipedia
Sigma Aldrich -  F0756 external link
Biochem/physiol Actions
Suppresses nitric oxide lysis of pancreatic islet cells. Inhibits protein synthesis in prokaryotes by inhibiting the ribosome-dependent activity of G factor and translocation of peptidyl-tRNA.

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    暂无数据
正在搜索,请耐心等待...(如果遇到网页错误或者长时间没有结果,请刷新页面[F5])

专利

专利

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

互联网资源

互联网资源

百度图标百度 google iconGoogle