ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
化工社オープンプロジェクト:[email protected]AIアクセス:llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.7.8
  1. ホーム
  2. /化合物

フェキソフェナジン塩酸塩

Fexofenadine Hydrochloride

HCID 63002
ノート反応
基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
153439-40-8
標準SMILES
CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl
InChIKey
RRJFVPUCXDGFJB-UHFFFAOYSA-N
分子式
C32H40ClNO4
平均分子量
538.1 g/mol
単同位体質量
537.2645865

名称と識別子

優先名称
Fexofenadine Hydrochloride
IUPAC
2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid;hydrochloride
現地名
フェキソフェナジン塩酸塩
英語名
Fexofenadine hydrochloride
分子式
C32H40ClNO4
分子量
538.13

名称と別名

FEXOFENADINE HYDROCHLORIDE153439-40-8FEXOFENADINE HCLAllegra AllergyAllegra HivesMDL 16,455ADTXSID5048716Children's Allegra HivesMDL-16455AChildren's Allegra Allergy2S068B75ZUDTXCID2028642
名称をさらに表示
フェキソフェナジン塩酸塩フェキソフェナジン 塩酸塩フェキソフェナジン塩酸塩 (JP17)フェクシン2-(4-{(1RS)-1-ヒドロキシ-4-[4-(ヒドロキシジフェニルメチル)ピペリジン-1-イル]ブチル}フェニル)-2-メチルプロパン酸=一塩酸塩ラピドファストフェンフェキサジンフェキソフェンアレルネックスフェキソ塩酸フェキソフェナジンフェキソフェナジン・塩酸塩2-メチル-2-[4-[1-ヒドロキシ-4-[4-(ヒドロキシジフェニルメチル)-1-ピペリジル]ブチル]フェニル]プロピオン酸・塩酸塩フェキソジンアレグラテルファスト2-[4-[1-ヒドロキシ-4-[4-(ヒドロキシジフェニルメチル)ピペリジン-1-イル]ブチル]フェニル]-2-メチルプロパン酸・塩酸塩FexoAllegra2-[4-[1-Hydroxy-4-[4-(hydroxy-diphenyl-methyl)-1-piperidyl]-butyl]phenyl]-2-methyl-propanoic acid hydrochlorideTelfast

物性

構造計算による物性

極性表面積
81 Ų
水素結合供与体数
4
水素結合受容体数
5
回転可能結合数
10
重原子数
38
形式電荷
0
複雑度
678

実験および物理化学的性質

Solubility71.8 [ug/mL] (The mean of the results at pH 7.4)

物理化学的性質

融点
148 · 148-150oC
貯蔵温度
2 · 2-8°C
溶解性
ジメチルスルホキシド (50 mM) およびメタノールに可溶。
外見
粉
色
白からベージュ
Merck
14 · 14,4068
InChIKey
RRJFVPUCXDGFJB-UHFFFAOYSA-N
SMILES
C(C1C=CC=CC=1)(C1C=CC=CC=1)(C1CCN(CCCC(C2C=CC(C(C)(C)C(=O)O)=CC=2)O)CC1)O.Cl
CAS データベース
153439 · 153439-40-8(CAS DataBase Reference)

化学的性質

化学的特性Off-White Crystalline Solid

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.

Danger

H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (42.9%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (28.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (14.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H360 (42.9%): May damage fertility or the unborn child [Danger Reproductive toxicity];H361d (14.3%): Suspected of damaging the unborn child [Warning Reproductive toxicity]

P203, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 7 reports by companies.;There are 5 notifications provided by 6 of 7 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (28.6%);Acute Tox. 2 (14.3%);Skin Irrit. 2 (28.6%);Skin Sens. 1 (42.9%);Eye Irrit. 2A (28.6%);STOT SE 3 (14.3%);Repr. 1B (42.9%);Repr. 2 (14.3%)

毒性情報

Treatment

化学と産業

薬理情報

Metabolism/MetabolitesApproximately 5% of the total dose is metabolized, by cytochrome P450 3A4 and by intestinal microflora. Half Life: 14.4 hours
FDA Pharmacological Classification · 6 件

FEXOFENADINE HCL

Histamine-1 Receptor Antagonist [EPC]; Histamine H1 Receptor Antagonists [MoA]

FEXOFENADINE HYDROCHLORIDE

Histamine H1 Receptor Antagonists [MoA]; Histamine-1 Receptor Antagonist [EPC]

FEXOFENADINE HYDROCHLORIDE 180 MG

Histamine-1 Receptor Antagonist [EPC]; Histamine H1 Receptor Antagonists [MoA]

MeSH Pharmacological Classification · 2 件

Agents that are used to treat allergic reactions. Most of these drugs act by preventing the release of inflammatory mediators or inhibiting the actions of released mediators on their target cells. (From AMA Drug Evaluations Annual, 1994, p475)

A class of non-sedating drugs that bind to but do not activate histamine receptors (DRUG INVERSE AGONISM), thereby blocking the actions of histamine or histamine agonists. These antihistamines represent a heterogenous group of compounds with differing chemical structures, adverse effects, distribution, and metabolism. Compared to the early (first generation) antihistamines, these non-sedating antihistamines have greater receptor specificity, lower penetration of BLOOD-BRAIN BARRIER, and are less likely to cause drowsiness or psychomotor impairment.

用途と製造

UsesAn antihistamine drug used in the treatment of hayfever and similar allergy symptoms.
応用分野 · 3 件

説明Fexofenadine is a histamine H1 receptor antagonist (Ki = 10 nM). It reverses contraction of isolated rat tracheal strips induced by acetyl-β-methylcholine . Fexofenadine inhibits expression of IL-8 in TNF-α-stimulated HCT116 and COLO 205 cells. Oral administration of fexofenadine (2 and 10 mg/kg) reduces severity of colitis and phospho-IκB kinase activation in a mouse model of colitis induced by dextran sulfate sodium (DSS; ).

関連反応

40 件
反応記録を作成
HRID 341720 の反応式
HRID 341720生成物としてuspto-grants-1999_01
HRID 589315 の反応式
HRID 589315反応物としてuspto-grants-2016_01
HRID 644791 の反応式
HRID 644791生成物としてuspto-grants-2010_04
HRID 644792 の反応式
HRID 644792生成物としてuspto-grants-2010_04
HRID 644793 の反応式
HRID 644793生成物としてuspto-grants-2010_04
HRID 720698 の反応式
HRID 720698生成物としてuspto-grants-2006_11
HRID 720699 の反応式
HRID 720699生成物としてuspto-grants-2006_11
HRID 720700 の反応式
HRID 720700生成物としてuspto-grants-2006_11
1 / 5 ページ

化合物ノート

読み込み中…

このページの内容基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
Alernex
Feksine
Fexofen
Fexadyne
Vivafeks
Telfast BD
Benzeneacetic acid, 4-(1-hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethyl-, hydrochlorideAllergillicIAllergy ReliefChildren AllergyWal-fexbasic care allergyFex-Allergy ReliefDye Free Wal Fex

データベース識別子

CAS
153439-40-8
PubChem CID
63002
DTXSID
DTXSID5048716
ChEMBL
CHEMBL1200618
ChEBI
CHEBI:5051
UNII
2S068B75ZU
EC Number
604-906-2
In the event of overdose, consider standard measures to remove any unabsorbed drug. Symptomatic and supportive treatment is recommended. (L1712)
Exposure RoutesOral. 33%
Toxicity Summary · 1 件

Like other H1-blockers, Fexofenadine competes with free histamine for binding at H1-receptors in the GI tract, large blood vessels, and bronchial smooth muscle. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms (eg. nasal congestion, watery eyes) brought on by histamine. Fexofenadine exhibits no anticholinergic, antidopaminergic, alpha1-adrenergic or beta-adrenergic-receptor blocking effects.

Signs and SymptomsSide effects include dizziness, drowsiness, and dry mouth.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Drug Induced Liver Injury · 6 件

Drug Induced Liver Injury Rank (DILIrank 2.0)

Fexofenadine hydrochloride

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

Effects During Pregnancy and Lactation · 1 件

◉ Summary of Use during Lactation;Because of its lack of sedation and low milk levels, maternal use of fexofenadine would not be expected to cause any adverse effects in breastfed infants. Fexofenadine might have a negative effect on lactation, especially in combination with a sympathomimetic agent such as pseudoephedrine.;◉ Effects in Breastfed Infants;In one telephone follow-up study of 25 infants exposed to the fexofenadine's parent drug terfenadine, 3 mothers reported irritability in their infants. None of the reactions required medical attention.;◉ Effects on Lactation and Breastmilk;Antihistamines in relatively high doses given by injection can decrease basal serum prolactin in nonlactating women and in early postpartum women. However, suckling-induced prolactin secretion is not affected by antihistamine pretreatment of postpartum mothers. Whether lower oral doses of antihistamines have the same effect on serum prolactin or whether the effects on prolactin have any consequences on breastfeeding success have not been studied. The prolactin level in a mother with established lactation may not affect her ability to breastfeed.

安全データ

wgk
3
hs_code
2933399090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
ストレージクラス
11 - Combustible Solids

使用Fexofenadine hydrochloride is used as an antihistamine that inhibits Cox-1, Cox-2, and is a histamine H1 receptor agonist.

一般的な説明Fexofenadine hydrochloride, (±)-4-[1-hydroxy-4-[4-(hydroxyldiphenylmethyl)- 1-piperinyl]butyl-α,α-dimethylbenzeneacetic acid (Allegra), occurs as a white to off-white crystalline powder that is freely soluble in methanol and ethanol, slightly soluble in chloroform and water, and insoluble in hexane. This compound is marketed as a racemate and exists as a zwitterion in aqueous media at physiological pH. Fexofenadine is a primary oxidative metabolite of terfenadine. Terfenadine was developed during a search for new butyrophenone antipsychotic drugs as evidenced by the presence of the N-phenylbutanol substituent. It also contains a diphenylmethyl-piperidine moiety analogous to that found in the piperazine antihistamines.

上流・下流製品情報

上流原料

テルフェナジン塩化アルミニウム(III)4-ピペリジンメタノールヨードトリメチルシラン水素化ほう素ナトリウム

サプライヤー100 社

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏瑞点药业有限公司15896106238 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
上海盛雄生物科技发展有限公司86-021-64960112 13774219177 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
斯百全化学(上海)有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
深圳菲斯生物科技有限公司0755-83725681-603
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
湖南复瑞生物医药技术有限责任公司15901640172,19275032510 15901640172 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
济南铭雅医药科技有限公司0531-85828981 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18602735115 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
南京百鑫德诺生物科技有限公司025-58849295 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
凯试(上海)科技有限公司021-50135380 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]