基本情報
- CAS
135-23-9- 標準SMILES
CN(C)CCN(Cc1cccs1)c1ccccn1.Cl- InChIKey
BONORRGKLJBGRV-UHFFFAOYSA-N- 分子式
- C14H19N3S.ClH
- 平均分子量
- 297.8 g/mol
- 単同位体質量
- 297.10664632
概要
Methapyrilene hydrochloride appears as white crystalline powder or solid with a faint odor. Bitter taste. pH (aqueous solution) 5.5. (NTP, 1992)
名称と識別子
- 優先名称
- Methapyrilene Hydrochloride
- IUPAC
- N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine;hydrochloride
- 現地名
- メタピリレン·塩酸塩
- 英語名
- Methapyrilene hydrochloride
- 分子式
- C14H20ClN3S
- 分子量
- 297.85
名称と別名
METHAPYRILENE HYDROCHLORIDE135-23-9Methapyrilene HClMethoxyleneBlue LineThenylpyramine hydrochlorideThenylene hydrochlorideDTXSID0020818methypyrilene hydrochlorideNSC-75841000S42N58OM2-((2-(Dimethylamino)ethyl)-2-thenylamino)pyridine monohydrochloride
名称をさらに表示
N,N-ジメチル-N'-(2-ピリジニル)-N'-(2-チエニルメチル)-1,2-エタンジアミン·塩酸塩塩酸メタピリレンメタピリレン·塩酸塩メタピリレン塩酸塩dozarbarhistcoryzolbluelinecapathynhistafedmethaconsomnicaps
DTXCID40818CHEBI:38213METHAPYRILENE HYDROCHLORIDE [MI]METHAPYRILENE HYDROCHLORIDE [VANDF]METHAPYRILENE HYDROCHLORIDE [WHO-DD]cohistine2-((2-(dimethylamino)ethyl)-2-thenylamino)pyridine hydrochloride1,2-Ethanediamine, N1,N1-dimethyl-N2-2-pyridinyl-N2-(2-thienylmethyl)-, hydrochloride (1:1)
データベース識別子
- CAS
物性
構造計算による物性
- 極性表面積
- 47.6 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 6
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 235
実験および物理化学的性質
Solubility
greater than or equal to 100 mg/mL at 68.9 °F (NTP, 1992)
>44.7 [ug/mL] (The mean of the results at pH 7.4)
Melting Point324 °F (NTP, 1992)
Physical DescriptionMethapyrilene hydrochloride appears as white crystalline powder or solid with a faint odor. Bitter taste. pH (aqueous solution) 5.5. (NTP, 1992)
Collision Cross Section157.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 融点
- 162 ° · 162°
- 貯蔵温度
- room temp
- 溶解性
- 15 mg/ml,DMSO: · DMF: 15 mg/ml,DMSO: 10 mg/ml,Ethanol: 1 mg/ml,PBS (pH 7.2): 1 mg/ml
- 外見
- Solid
- 色
- Off-white to yellow
- 安定性
- Hygroscopic
- 主な用途
- 臨床検査
- InChI
- InChI=1S/C14H19N3S.ClH/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14;/h3-8,11H,9-10,12H2,1-2H3;1H
- InChIKey
- BONORRGKLJBGRV-UHFFFAOYSA-N
- SMILES
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
Danger
H301 (92.9%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health Hazards
SYMPTOMS: Symptoms of exposure to this compound include gastritis. Other symptoms include excitement, convulsions, hyperpyrexia, cerebral edema, depression and renal tubular necrosis. Ingestion of this type of compound may cause drowsiness, headache, dryness of the mouth, nausea, tachycardia, urinary retention, disorientation, nervousness, staggering gait, hallucinations, stupor, coma, hyperreflexia, tremors, nystagmus and hyperthermia. Other symptoms of exposure to this type of compound are mild sedation, inability to concentrate, lassitude, dizziness, hypotension, muscular weakness, incoordination, vomiting, diarrhea or constipation, epigastric pain, blurred vision and tinnitus.
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
METHAPYRILENE HYDROCHLORIDE is light sensitive. Solutions of this chemical in water, DMSO, 95% ethanol or acetone should be stable for 24 hours under normal lab conditions. (NTP, 1992). Organosulfides are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas.
Air and Water Reactions
化学と産業
用途と製造
General Manufacturing Information1,2-Ethanediamine, N1,N1-dimethyl-N2-2-pyridinyl-N2-(2-thienylmethyl)-, hydrochloride (1:1): ACTIVE
応用分野
使用Methapyrilene is used as antihistaminic agent.
一般的な説明Methapyrilene hydrochloride,2-[[2-(dimethylamino)-ethyl]-2-thienylarnino]pyridine monohydrochloride (Histadyl) is available as the bitter-tasting, white crystalline powder that is soluble in water(1:0.5), in alcohol (1:5), and in chloroform (1:3). Its solutionshave a pH of about 5.5. It differs structurally from tripelennaminein having a 2-thiophene—methylene group in placeof the benzyl group. The thiophene ring is considered isostericwith the benzene ring, and the isosteres exhibit similaractivity. A study of the solid-state conformation of methapyrilenehydrochloride showed that the trans-conformation is preferredfor the two ethylenediamine nitrogen atoms. The Foodand Drug Administration declared methapyrilene a potentialcarcinogen in 1979, and all products containing it have beenrecalled.
上流・下流製品情報
上流原料
サプライヤー27 社
艾吉析科技（上海）有限公司17717235263 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海钰康生物科技有限公司
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