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

メデトミジン

Medetomidine

HCID 68602
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
86347-14-0
標準SMILES
Cc1cccc(C(C)c2cnc[nH]2)c1C
InChIKey
CUHVIMMYOGQXCV-UHFFFAOYSA-N
分子式
C13H16N2
平均分子量
200.28 g/mol
単同位体質量
200.13134852

概要

Medetomidine is a member of imidazoles.

名称と識別子

優先名称
Medetomidine
IUPAC
5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole
現地名
メデトミジン
英語名
Medetomidine
分子式
C13H16N2
分子量
200.28

名称と別名

Medetomidine86347-14-0MedetomidinaMedetomidinum5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazoleDomitorMR15E85MQM(+-)-4-(alpha,2,3-trimethylbenzyl)imidazoleDTXSID6048258CHEBI:485525-(1-(2,3-dimethylphenyl)ethyl)-1H-imidazoleRefChem:56412
名称をさらに表示
4-[1-(2,3-ジメチルフェニル)エチル]-1H-イミダゾールメデトミジンドミトール(+)-4-[1-(2,3-ジメチルフェニル)エチル]-1H-イミダゾール塩酸メデトミジン3-[1-(1H-イミダゾール-4-イル)エチル]-1,2-ジメチルベンゼン4-[1-(2,3-ジメチルフェニル)エチル]イミダゾールCS-849MedetomidinMedetomidine-D5Medetomidine, BRChlorinated TERT butaneMedetomidine,MedetomidineDexmedetomidine Impurity 38Medetomidine HCl Hydrochloride MedetomidineRAC-4-[1-(2 3-DIMETHYLPHENYL)ETHYL]-1H-I MIDAZOLE
IH-Imidazole, 4(1-(2,3-dimethylphenyl)ethyl)-DTXCID1028233811-718-64-(1-(2,3-Dimethylphenyl)ethyl)-1H-imidazole4-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazoleMedetomidinum [Latin]Medetomidina [Spanish]1H-Imidazole, 4-[1-(2,3-dimethylphenyl)ethyl]-

物性

構造計算による物性

XLogP
3.1
極性表面積
28.7 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
2
重原子数
15
形式電荷
0
複雑度
205

実験および物理化学的性質

DrugsDEA NFLIS-Drug Category -> Analgesics
Animal DrugsFDA approved animal drugs -> Active ingredient

物理化学的性質

沸点
381.9 · 381.9±11.0 °C(Predicted)
比重(密度)
1.053 · 1.053
貯蔵温度
Sealed in dry,Room Temperature
溶解性
Soluble in DMSO
酸解離定数(Pka)
14.29 · 14.29±0.10(Predicted)
外見
Powder
色
White to off-white
InChI
InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)
InChIKey
CUHVIMMYOGQXCV-UHFFFAOYSA-N
SMILES
C1NC(C(C2=CC=CC(C)=C2C)C)=CN=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 · 6 件

Danger

H300: Fatal if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P270, P271, P273, P284, P301+P316, P304+P340, P308+P316, P316, P319, P320, P321, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

P260, P264, P270, P271, P273, P284, P301+P316, P304+P340, P316, P320, P321, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information4-(1-(2,3-dimethylphenyl)ethyl-1H-imidazole: 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.
Hazard Classes and Categories · 3 件

Acute Tox. 2 (100%)

Acute toxicity (inhalation) - category 2

Acute Tox. 2

毒性情報

Toxicity Summary · 1 件

A 2026 "Emergence of Medetomidine in the Illicit Drug Supply: Implications for Emergency Care and Withdrawal Management" publication notes that Medetomidine is a racemic mixture of levomedetomidine and the more active dexmedetomidine enantiomers. It can produce prolonged sedation, bradycardia, and biphasic blood pressure effects. Emergency care is complicated since the toxicity persists after naloxone administration. Withdrawal is rapidly progressive, severe, and often resistant to traditional therapies, and the symptoms can begin within four-to-six hours after the last use. The withdrawal symptoms include anxiety, tremor, vomiting, hypertension, tachycardia, and delirium whilethe laboratory findings may include lactic acidosis, hypokalemia, and QTc prolongation.

Antidote and Emergency Treatment

化学と産業

薬理情報

ATC CodeQN - Nervous system
MeSH Pharmacological Classification · 3 件

Drugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.

A subclass of analgesic agents that typically do not bind to OPIOID RECEPTORS and are not addictive. Many non-narcotic analgesics are offered as NONPRESCRIPTION DRUGS.

Compounds that bind to and activate ADRENERGIC ALPHA-2 RECEPTORS.

Absorption, Distribution and Excretion · 1 件

A 2026 "Emergence of Medetomidine in the Illicit Drug Supply: Implications for Emergency Care and Withdrawal Management" publication notes that Medetomidine is readily available after intravenous injection and that it can be absorbed through the nasal and buccal mucosa. Extensive first-pass effects limit bioavailability after ingestion.

応用分野

使用Medetomidine is used in method for synthesizing Medetomidine using 2,3-Dimethylphenylmagnesium Bromide.

上流・下流製品情報

上流原料

1H-Imidazole, 4-[1-(2,3-dimethylphenyl)ethenyl]-1-(phenylmethyl)-sodium:cyanideBenzenemethanol, -alpha-,2,3-trimethyl- (9CI)2-bromo-3-(2,3-dimethylphenyl)butanalN-トリメチルシリルイミダゾールキット

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

データベース識別子

CAS
86347-14-0
PubChem CID
68602
DTXSID
DTXSID6048258
ChEMBL
CHEMBL77921
ChEBI
CHEBI:48552
UNII
MR15E85MQM
EC Number
811-718-6
Nikkaji
J134.038G、J403.261F
· 1 件

A 2026 "Emergence of Medetomidine in the Illicit Drug Supply: Implications for Emergency Care and Withdrawal Management" publication notes that emergency care for the management of toxicity is supportive. The care is complicated since the toxicity persists after naloxone administration. Also, there is no reversal agent approved for use in humans. The imidazoline alpha-2 receptor antagonist atipamezole is approved as a veterinary reversal agent; however, the authors note that using "an alpha-2 reversal agent in humans seems attractive but likely would result in greater harm than benefit." There is no FDA-approved immunoassay to use for drug testing.

安全データ

危険有害性情報
コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H300
メデトミジン塩酸塩
2,3-ジメチルスチレン
メチルクロロマグネシウム
5-[1-(2,3-ジメチルフェニル)エテニル]-1H-イミダゾール
ホルムアミジン酢酸塩
メチルリチウム
N-tert-ブトキシカルボニルイミダゾール
イミダゾール

サプライヤー100 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
HubeiwidelychemicaltechnologyCo.,Ltd18627774460 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]
Hebei shuoxi biotechnology co. LTD+8613081092107
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [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]
孟成科技(上海)有限公司400-820-6829 · [email protected]
江苏药恒医药科技有限公司13524761129 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
河北缤享新材料科技有限公司+8618633865755 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
医恩医疗系统研发(上海)有限公司021-58958002 18930822973 · [email protected]
河北茹麒科技有限公司176-03256889 17603256889 · [email protected]
Hebei shenghao import and export trade co. LTD+8618431136903
ChemeGen 中国18818260767 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都宇洋高科技发展有限责任公司+86-28-61777709 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
上海昂斯化学科技有限公司13917628136 15900795984 · [email protected]
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
无锡市耀得信化工产品有限公司0510-83593312 13665125081 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
TargetMol中国(陶术生物)021-021-33632979 15002134094 · [email protected]
Hebei Runbin Biotechnology Co. LTD13180553332 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
深圳市大物科技有限责任公司0752-5555973 13923768523 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
上海前衍生物科技有限公司02781293128 · [email protected]
上海晗光生物科技有限公司13302171746 13302171746 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
南京罗迈美生物科技有限公司[email protected]
Cckinase, Inc.+1 (732)236-3202 · [email protected]
深圳市森迪生物科技有限公司18124570582 TEL:0755-23574479 2355327139 · [email protected]