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プロパンテリン臭化物

Propantheline Bromide

HCID 9279
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
部分構造検索類似構造を探す

基本情報

CAS
50-34-0
標準SMILES
CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C.[Br-]
InChIKey
XLBIBBZXLMYSFF-UHFFFAOYSA-M
分子式
C23H30NO3.Br
平均分子量
448.4 g/mol
単同位体質量
447.14091

概要

Propantheline bromide appears as white crystals or white powder. Melting point 159-161 °C. Used therapeutically as an anticholinergic.

名称と識別子

優先名称
Propantheline Bromide
IUPAC
methyl-di(propan-2-yl)-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium bromide
現地名
プロパンテリン臭化物
英語名
Propantheline bromide
分子式
C23H30NO3.Br
分子量
448.39

名称と別名

PROPANTHELINE BROMIDE50-34-0Pro-BanthineNeometantylErcotinaNeopepulsanPanthelinePervagalProdixamonPropantelErcoraxKetaman
名称をさらに表示
プローバンチンプロ·バンサインプロパンテリン臭化物パーバガールプロバンサイン臭化プロパンテリンパンタスプロ-バンチンN-メチル-N-イソプロピル-N-[2-[[(9H-キサンテン-9-イル)カルボニル]オキシ]エチル]-2-プロパンアミニウム·ブロミドN-メチル-N-イソプロピル-N-[2-[(9H-キサンテン-9-イルカルボニル)オキシ]エチル]-2-プロパンアミニウム·ブロミドペルバガールプロパンテリンブロミドプロパンセリンブロミドプロパンテリン臭化物 (JP17)sc-3171Corrigast
KivatinPantasPro-GastronBromure de propanthelinePropantelina bromuroPropanthelini bromidumDTXSID2023519NCI-C56257

データベース識別子

CAS
50-34-0
PubChem CID
9279
DTXSID

物性

構造計算による物性

極性表面積
35.5 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
7
重原子数
28
形式電荷
0
複雑度
474

実験および物理化学的性質

Solubility · 2 件

greater than or equal to 100 mg/mL at 70 °F (NTP, 1992)

>67.3 [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

Melting Point318 to 322 °F (NTP, 1992)
Physical DescriptionPropantheline bromide appears as white crystals or white powder. Melting point 159-161 °C. Used therapeutically as an anticholinergic.

物理化学的性質

融点
159 · 159-161°C
比重(密度)
1.2916 · 1.2916 (rough estimate)
屈折率
1.62 · 1.6200 (estimate)
貯蔵温度
2 · 2-8°C
溶解性
2 O: · H2O: 可溶性50mg/mL
外見
粉
色
ホワイトからオフホワイト
水溶解度
10 g/100 · >=10 g/100 mL at 21 ºC
安定性
安定。可燃性。強力な酸化剤とは相容れない。
InChI
1S/C23H30NO3.BrH/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22;/h6-13,16-17,22H,14-15H2,1-5H3;1H/q+1;/p-1

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 (99.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 115 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory InformationPropantheline bromide: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Propanaminium, N-methyl-N-(1-methylethyl)-N-[2-[(9H-xanthen-9-ylcarbonyl)oxy]ethyl]-, bromide: Environment tier I assessment
Fire HazardsFlash point data are not available for this chemical, but it is probably combustible. (NTP, 1992)
Health Hazards · 1 件

SYMPTOMS: Symptoms of exposure to this compound include dilated pupils and blurred vision; increased intraocular tension and heart rate; hot, dry, red skin; dry mouth; disorientation; hallucinations; aggressive behavior; rapid pulse and respiration; convulsions; and coma. (NTP, 1992)

Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Air and Water ReactionsWater soluble.
Hazard Classes and CategoriesAcute Tox. 4 (99.1%)

安全と保護具

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief.

Drugs that bind to but do not activate MUSCARINIC RECEPTORS, thereby blocking the actions of endogenous ACETYLCHOLINE or exogenous agonists. Muscarinic antagonists have widespread effects including actions on the iris and ciliary muscle of the eye, the heart and blood vessels, secretions of the respiratory tract, GI system, and salivary glands, GI motility, urinary bladder tone, and the central nervous system.

用途と製造

General Manufacturing Information2-Propanaminium, N-methyl-N-(1-methylethyl)-N-[2-[(9H-xanthen-9-ylcarbonyl)oxy]ethyl]-, bromide (1:1): INACTIVE

応用分野

使用Propantheline is an antimuscarinic agent used in the treatment of hyperhidrosis (excessive sweating), enuresis (involuntary urination) as well as cramps or spasms of the stomach, intestine and bladder.

一般的な説明White crystals or white powder. Melting point 159-161°C .Used therapeutically as an anticholinergic.

上流・下流製品情報

上流原料

キサンテン-9-カルボン酸2-(ジイソプロピルアミノ)エタノールブロモメタン

関連反応

0 件
反応記録を作成

現在のフィルター条件では反応記録がありません。

化合物ノート

読み込み中…

このページの内容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
DTXSID2023519
ChEMBL
CHEMBL1240
ChEBI
CHEBI:8482
UNII
UX9Z118X9F
EC Number
200-030-6
InChIKey
XLBIBBZXLMYSFF-UHFFFAOYSA-M
SMILES
[Br-].CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc3ccccc13)C(C)C
EPAの化学物質情報
Propantheline bromide (50-34-0)

化学的性質

化学的特性white crystalline powder

Fire Fighting
Fires involving this compound should be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

毒性情報

Drug Induced Liver Injury · 6 件

Drug Induced Liver Injury Rank (DILIrank 2.0)

Propantheline bromide

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

安全データ

wgk
3
tsca
TSCA listed
rtecs
BP8249200
hs_code
2932992000
risk_code
22
hazard_code
Xn
safety_code
36
Hazard Classifications
Acute Tox. 4 Oral
ストレージクラス
11 - Combustible Solids

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