CAS 638-94-8|Desilux|Desocort|desonide|(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one|T...

基本信息

化学结构

分子式

C₂₄H₃₂O₆

分子量

416.50728

精确质量

416.21988874

电荷

InChI

InChI=1S/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1

InChIKey

WBGKWQHBNHJJPZ-LECWWXJVSA-N

Canonic Smiles

OCC(=O)[C@@]12OC(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@H]2[C@H]1CCC1=CC(=O)C=C[C@]21C)(C)C

Isomeric Smiles

O1[C@]2([C@@]3([C@H]([C@H]4[C@H]([C@@H](O)C3)[C@@]3(C(=CC(=O)C=C3)CC4)C)C[C@H]2OC1(C)C)C)C(=O)CO

计算属性

JChem

LogD (pH = 7.4)

1.90

LogD (pH = 5.5)

1.90

Log P

1.90

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

13.75

极化表面积

93.06

极化性

44.62

摩尔折射率

112.06

LOG S

-4.48

数据来源

名称和标识

商标名

DesocortDesiluxTridesilonDesowen

IUPAC传统名

desonide (1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one

IUPAC标准名

(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one (1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-14,17-dien-16-one (1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-14,17-dien-16-one

别名

DesonideLocapredTopifugTridesilon(11β,16α)-11,21-Dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione16α-Hydroxyprednisolone Acetonide11beta,21-dihydroxy-16alpha,17-isopropylidenedioxypregna-1,4-diene-3,20-dione16alpha-hydroxyprednisolone-16alpha,17-acetonidedesfluorotriamcinolone acetonide16alpha,17alpha-isopropylidenedioxyprednisolonedesonide11beta,21-dihydroxy-16alpha,17alpha-isopropylidenedioxypregna-1,4-diene-3,20-dione16alpha-hydroxyprednisole-16,17-acetonide11beta,21-dihydroxy-16alpha,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione

国际非专利药品(INN)

desonidedesonidadesonidum

名称和标识

数据登录号

CAS号

638-94-8

PubChem CID

5311066

PubChem SID

4650618616096459185403370

专利号

US3536586US3549498US2990401

PubMed文献链接

CompTox数据库

SureChEMBL数据库

CHEBI ID

Beilstein号

CHEMBL

ACToR数据库

Drug Central Database

维基百科标题

DrugBank ID

KEGG DRUG Database

数据登录号

化合物性质

安全信息

保存条件

-20°C

Refrigerator

MSDS下载

下载链接

产品相关信息

成盐信息

Free Base

质检报告

下载链接

化合物性质

分子相关蛋白质

暂无数据

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分子图谱

暂无数据

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描述信息

Selleck Chemicals

S1701

Research Area: Inflammation
Biological Activity:
Desonide is a low potency topical corticosteroid. It is primarily used to treat atopic dermatitis (eczema), seborrheic dermatitis, psoriasis and contact dermatitis in both adults and children and has a fairly good safety profile. [1]

DrugBank

DB01260

Drug Groups

approved; investigational

Description

A nonfluorinated corticosteroid anti-inflammatory agent used topically for dermatoses. [PubChem]

Indication

For the relief of the inflammatory and pruritic manifestations of corticosteroid responsive dermatose.

Pharmacology

Desonide is a synthetic nonfluorinated corticosteroid for topical dermatologic use. The corticosteroids constitute a class of primarily synthetic steroids used topically as anti-inflammatory and antipruritic agents.

Affected Organisms

Humans and other mammals

Absorption

Topical corticosteroids can be absorbed from normal intact skin, inflammation and/or other disease processes in the skin may increase percutaneous absorption.

External Links

• [Wikipedia]

• [RxList]

• [PDRhealth]

• [Drugs.com]

TRC

D296940

Anti-inflammatory.

ChEBI

CHEBI:204734

Triamcinolone acetonide with hydrogen instead of the fluorine substituent at position 9. A corticosteroid anti-inflammatory, it is used topically as a cream, ointment or lotion for the treatment of various skin disorders.

描述信息

参考文献

PubChem文献

数据源提供

• http://en.wikipedia.org/wiki/Desonide

• Sanen, F.J., et al.: Int. J. Clin. Pharmacol. Biopharm., 12, 174 (1971)

• Phillips, et al.: Toxicol. Appl. Pharmacol., 20, 522 (1971)

• Tarayre, J.P., et al.: Pharmacol., 19, 323 (1979).

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

商标名

DesocortDesiluxTridesilonDesowen

IUPAC传统名

desonide (1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one

IUPAC标准名

别名

国际非专利药品(INN)

desonidedesonidadesonidum

数据登录号

CAS号

638-94-8

PubChem CID

5311066

PubChem SID

4650618616096459185403370

专利号

US3536586US3549498US2990401

PubMed文献链接

CompTox数据库

SureChEMBL数据库

CHEBI ID

Beilstein号

CHEMBL

ACToR数据库

Drug Central Database

维基百科标题

DrugBank ID

KEGG DRUG Database

化合物性质

安全信息

保存条件

-20°C

Refrigerator

MSDS下载

下载链接

产品相关信息

成盐信息

Free Base

质检报告

下载链接

描述信息

Selleck Chemicals

S1701

DrugBank

DB01260

Drug Groups

approved; investigational

Description

A nonfluorinated corticosteroid anti-inflammatory agent used topically for dermatoses. [PubChem]

Indication

For the relief of the inflammatory and pruritic manifestations of corticosteroid responsive dermatose.

Pharmacology

Affected Organisms

Humans and other mammals

Absorption

Topical corticosteroids can be absorbed from normal intact skin, inflammation and/or other disease processes in the skin may increase percutaneous absorption.

External Links

• [Wikipedia]

• [RxList]

• [PDRhealth]

• [Drugs.com]

TRC

D296940

Anti-inflammatory.

ChEBI

CHEBI:204734

参考文献

PubChem文献