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33564-31-7 分子结构
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2-[(1R,2S,8S,10S,11S,13S,14R,15S,17S)-14-(acetyloxy)-1,8-difluoro-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadeca-3,6-dien-14-yl]-2-oxoethyl acetate

ChemBase编号:108
分子式:C26H32F2O7
平均质量:494.5248864
单一同位素质量:494.2116098
SMILES和InChIs

SMILES:
F[C@@]12[C@H]([C@H]3[C@@]([C@](OC(=O)C)([C@H](C3)C)C(=O)COC(=O)C)(C[C@@H]1O)C)C[C@H](F)C1=CC(=O)C=C[C@]21C
Canonical SMILES:
CC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)F)F)C(=O)COC(=O)C
InChI:
InChI=1S/C26H32F2O7/c1-13-8-17-18-10-20(27)19-9-16(31)6-7-23(19,4)25(18,28)21(32)11-24(17,5)26(13,35-15(3)30)22(33)12-34-14(2)29/h6-7,9,13,17-18,20-21,32H,8,10-12H2,1-5H3/t13-,17-,18-,20-,21-,23-,24-,25-,26-/m0/s1
InChIKey:
BOBLHFUVNSFZPJ-JOYXJVLSSA-N

引用这个纪录

CBID:108 http://www.chembase.cn/molecule-108.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
2-[(1R,2S,8S,10S,11S,13S,14R,15S,17S)-14-(acetyloxy)-1,8-difluoro-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadeca-3,6-dien-14-yl]-2-oxoethyl acetate
2-[(1R,2S,8S,10S,11S,13S,14R,15S,17S)-14-(acetyloxy)-1,8-difluoro-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl]-2-oxoethyl acetate
2-[(1R,2S,8S,10S,11S,13S,14R,15S,17S)-14-(acetyloxy)-1,8-difluoro-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0?,?.0??,??]heptadeca-3,6-dien-14-yl]-2-oxoethyl acetate
IUPAC传统名
diflorasone
商标名
Florone
Florone E
Maxiflor
Psorcon
别名
6α,9-二氟-11β,17,21-三羟基-16β-甲基孕甾-1,4-二烯-3,20-二酮 17,21-二乙酸酯
双氟拉松乙酸酯
Diflorasone diacetate
Diflorasone Diacetate
Diflorasone
6α,9-Difluoro-11β,17,21-trihydroxy-16 β-methyl-pregna-1,4-diene-3,20-dione 17,21-diacetate
DIFLORASONE DIACETATE
(6α,11β,16β)-17,21-Bis(acetyloxy)-6,9-difluoro-11-hydroxy-16-methyl-pregna-1,4-diene-3,20-dione
Dermaflor
Diacort
Diflorasone 17,21-Diacetate
Difulal
Florone
Maxiflor
Psorcon
Soriflor
CAS号
33564-31-7
2557-49-5
EC号
251-575-1
MDL号
MFCD00079159
PubChem SID
160963571
24894203
PubChem CID
71414

数据来源

数据来源

所有数据来源 商品来源 非商品来源

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 13.553008  质子受体
质子供体 LogD (pH = 5.5) 2.2241013 
LogD (pH = 7.4) 2.2241008  Log P 2.2241013 
摩尔折射率 120.6193 cm3 极化性 47.113922 Å3
极化表面积 106.97 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P 2.85  LOG S -4.63 
溶解度 1.16e-02 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
Chloroform expand 查看数据来源
Methanol expand 查看数据来源
外观
White Solid expand 查看数据来源
熔点
222-224°C expand 查看数据来源
疏水性(logP)
2.1 expand 查看数据来源
保存条件
Refrigerator expand 查看数据来源
Room Temperature (15-30°C) expand 查看数据来源
RTECS编号
TU3722000 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
MSDS下载
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
德国WGK号
3 expand 查看数据来源
危险公开号
20/21/22-40 expand 查看数据来源
安全公开号
22-36 expand 查看数据来源
GHS危险品标识
GHS07 expand 查看数据来源
GHS08 expand 查看数据来源
GHS警示词
Warning expand 查看数据来源
GHS危险声明
H312-H332-H351 expand 查看数据来源
GHS警示性声明
P280 expand 查看数据来源
个人保护装置
Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand 查看数据来源
级别
analytical standard, for drug analysis expand 查看数据来源
质检报告
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源

详细说明

详细说明

MP Biomedicals MP Biomedicals DrugBank DrugBank TRC TRC
MP Biomedicals -  02157696 external link
(6α,9-Difluoro-11β,17,21-trihydroxy-
16β-methyl-pregna-1,4-diene-
3,20-dione 17,21-diacetate)
DrugBank -  DB00223 external link
Item Information
Drug Groups approved
Description Diflorasone is a topical corticosteroid used to treat itching and inflammation of the skin.
Indication For relief of the inflammatory and pruritic manifestations of corticosteroid responsive dermatoses.
Pharmacology Like other topical corticosteroids, diflorasone has anti-inflammatory, antipruritic, and vasoconstrictive properties. Once absorbed through the skin, topical corticosteroids are handled through pharmacokinetic pathways similar to systemically administered corticosteroids. Diflorasone is a potent topical corticosteroid that should not be used with occlusive dressings. It is recommended that treatment should be limited to 2 consecutive weeks and therapy should be discontinued when adequate results have been achieved.
Toxicity Topically applied diflorasone can be absorbed in sufficient amounts to produce systemic effects. Symptoms of overdose include thinning of skin and suppression of adrenal cortex (decreased ability to respond to stress).
Affected Organisms
Humans and other mammals
Biotransformation Metabolized, primarily in the liver, and then excreted by the kidneys.
Absorption Topical corticosteroids can be absorbed from intact healthy skin. The extent of percutaneous absorption of topical corticosteroids is determined by many factors, including the vehicle and the integrity of the epidermal barrier. Occlusion, inflammation and/or other disease processes in the skin may also increase percutaneous absorption.
Protein Binding Bound to plasma proteins in varying degrees.
External Links
Wikipedia
RxList
Drugs.com
Toronto Research Chemicals -  D445500 external link
An anti-inflammatory and anti-itching corticosteroid usually present in topical creams.

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Dikunets, M., et al.: J. Anal. Chem., 64, 832 (2009)
  • Maccaroni, E., et al.: Steroids, 74, 102 (2009)
  • Gohil, V., et al.: Nat. Biotechnol., 28, 249 (2009)
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专利

专利

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