CAS 83919-23-7|(1R,2S,10S,11S,13R,14R,15S,17S)-1-chloro-14-(2-chloroacetyl)-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl furan-2-carboxylate|Mometaso...

基本信息

化学结构

分子式

C₂₇H₃₀Cl₂O₆

分子量

521.4295

精确质量

520.14194404

电荷

InChI

InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1

InChIKey

WOFMFGQZHJDGCX-ZULDAHANSA-N

Canonic Smiles

ClCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl

Isomeric Smiles

C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CCl)OC(=O)c1ccco1)C)C)O)Cl)C

计算属性

JChem

Acid pKa

13.836226

质子受体

质子供体

LogD (pH = 5.5)

5.055208

LogD (pH = 7.4)

5.0552077

Log P

5.055208

摩尔折射率

132.4999

极化性

51.422264

极化表面积

93.81

可自由旋转的化学键

里宾斯基五规则

false

数据来源

产品目录

学术数据

数据来源

名称和标识

别名

Mometasone furoateMometasone furoate(11β,16α)-9,21-Dichloro-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methylpregna-1,4-diene-3,20-dioneTwisthalerSch-32088, Elocon, Nasonex(11β,16α)-9,21-Dichloro-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methyl-pregna-1,4-diene-3,20-dione

IUPAC标准名

(1R,2S,10S,11S,13R,14R,15S,17S)-1-chloro-14-(2-chloroacetyl)-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl furan-2-carboxylate (1R,2S,10S,11S,13R,14R,15S,17S)-1-chloro-14-(2-chloroacetyl)-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl furan-2-carboxylate

IUPAC传统名

mometasone furoate nasonex

名称和标识

数据登录号

CAS号

MDL号

PubChem CID

PubChem SID

数据登录号

化合物性质

产品相关信息

成盐信息

furoate

Empirical Formula (Hill Notation)

C27H30Cl2O6

纯度

≥98% (HPLC)

质检报告

下载链接

化合物性质

分子相关蛋白质

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分子图谱

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描述信息

Selleck Chemicals

S1987

Research Area: Inflammation
Biological Activity:
Mometasone furoate is a glucocorticosteroid used topically to reduce inflammation of the skin or in the airways. Mometasone furoate is used in the treatment of inflammatory skin disorders (such as eczema and psoriasis), allergic rhinitis (such as hay fever), asthma for patients unresponsive to less potent corticosteroids, and penile phimosis. In terms of steroid strength, it is more potent than hydrocortisone, and less potent than dexamethasone. Mometasone furoate reduces inflammation by causing several effects: reversing the activation of inflammatory proteins, activating the secretion of anti-inflammatory proteins, stabilising cell membranes, decreasing the influx of inflammatory cells. [1]References on Mometasone furoate[1] http://en.wikipedia.org/wiki/Mometasone_furoate, ,

Sigma Aldrich

M4074

Biochem/physiol Actions
Mometasone furoate is an anti-inflammatory glucocorticoid.

TRC

M490000

A topical corticosteroid used as an anti-inflammatory.

描述信息

参考文献

PubChem文献

数据源提供

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

• Shapiro, E.L., et al.: J. Med. Chem., 30, 1581 (1987)