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塩酸オキシフェンサイクリミン

Oxyphencyclimine Hydrochloride

HCID 66061
ノート反応
基本情報概要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
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基本情報

CAS
125-52-0
標準SMILES
CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl
InChIKey
WXAYTPABEADAAB-UHFFFAOYSA-N
分子式
C20H29ClN2O3
平均分子量
380.9 g/mol
単同位体質量
380.1866705

概要

Oxyphencyclimine hydrochloride is a member of pyrimidines.

名称と識別子

優先名称
Oxyphencyclimine Hydrochloride
IUPAC
(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrochloride
現地名
塩酸オキシフェンサイクリミン
英語名
OXYPHENCYCLIMINE
分子式
C20H28N2O3.ClH
分子量
380.91

名称と別名

Oxyphencyclimine hydrochloride125-52-0DariconOxyphencyclimine HClDTXSID6045909GWO1432WOUNSC-528449DTXCID4025909RefChem:56764204-742-8Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, (1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)methyl ester, monohydrochlorideUlcociclinina
名称をさらに表示
塩酸オキシフェンシクリミンα-シクロヘキシル-α-ヒドロキシベンゼン酢酸[(1,4,5,6-テトラヒドロ-1-メチルピリミジン)-2-イル]メチル·塩酸塩塩酸オキシフェンサイクリミンオキシフェンサイクリミン塩酸オキシフェンサイクリミン (JAN)α-シクロヘキシル-α-ヒドロキシベンゼン酢酸[(1,4,5,6-テトラヒドロ-1-メチルピリミジン)-2-イル]メチル・塩酸塩daricols1-1236
SpazaminSyklifenCycminDominilEnterexGastrixOximinSetrol

データベース識別子

CAS
125-52-0
PubChem CID
66061

物性

構造計算による物性

極性表面積
62.1 Ų
水素結合供与体数
2
水素結合受容体数
4
回転可能結合数
6
重原子数
26
形式電荷
0
複雑度
481

実験および物理化学的性質

Solubility>57.1 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs · 2 件

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Collision Cross Section183.9 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

物理化学的性質

融点
231 · 231-232 °C (decomp)
外見
Solid
色
White to off-white

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 · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 1 件

Benzeneacetic acid, .alpha.-cyclohexyl-.alpha.-hydroxy-, (1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)methyl ester, monohydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - Benzeneacetic acid, .alpha.-cyclohexyl-.alpha.-hydroxy-, (1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)methyl ester, monohydrochloride: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk
3
rtecs
GV3030000
毒性
LD50 oral in rat: 1370mg/kg
risk_code
20/21/22
hazard_code
Xn
safety_code
36

化学と産業

応用分野 · 2 件

使用Oxyphencyclimine is widely used for the same indications as dicyclomine and oxybutynin.

一般的な説明Oxyphencycliminehydrochloride, 1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)methyl -phenylcyclohexaneglycolate monohydrochloride(Daricon, Vistrax), was introduced in 1958 and promoted asa peripheral anticholinergic–antisecretory agent, with little orno curare-like activity and little or no ganglionic blocking activity.These activities are probably absent because of the tertiarycharacter of the molecule. This activity is in contrastwith that of compounds that couple antimuscarinic actionwith ganglionic blocking action. The tertiary character of thenitrogen promotes intestinal absorption of the molecule.Perhaps the most significant activity of this compound is itsmarked ability to reduce both the volume and the acid contentof the gastric juices, a desirable action in view of the more recenthypotheses pertaining to peptic ulcer therapy. Anotherimportant feature of this compound is its low toxicity in comparisonwith many of the other available anticholinergics.Oxyphencyclimine hydrochloride is hydrolyzed in the presenceof excessive moisture and heat. It is absorbed from theGI tract and has a duration of action of up to 12 hours.

上流・下流製品情報

上流原料

硝酸マグネシウム·6水和物ベンゾイルぎ酸ブロモシクロヘキサン

サプライヤー39 社

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司

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化合物ノート

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DTXSID
DTXSID6045909
ChEMBL
CHEMBL1200891
ChEBI
CHEBI:7869
UNII
GWO1432WOU
EC Number
204-742-8
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