基本情報
- CAS
73360-54-0- 標準SMILES
CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C.Cl.O- InChIKey
HUCIWBPMHXGLFM-UHFFFAOYSA-N- 分子式
- C18H31ClN2O2
- 平均分子量
- 342.9 g/mol
- 単同位体質量
- 342.2074059
概要
Bupivacaine hydrochloride hydrate is a racemate composed of equimolar amounts of dextrobupivacaine hydrochloride hydrate and levobupivacaine hydrochloride hydrate. A piperidinecarboxamide-based local anaesthetic, it has a slow onset and long duration of action. It has a role as a local anaesthetic, an EC 3.1.1.8 (cholinesterase) inhibitor, an adrenergic antagonist, an amphiphile and an EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor. It contains a bupivacaine hydrochloride (anhydrous), a levobupivacaine hydrochloride hydrate and a dextrobupivacaine hydrochloride hydrate.
名称と識別子
- 優先名称
- 2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-, hydrochloride, hydrate (1:1:1)
- IUPAC
- 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrate;hydrochloride
- 現地名
- ブピバカイン 塩酸塩
- 英語名
- Bupivacaine Hydrochloride
- 分子式
- C18H31ClN2O2
- 分子量
- 342.91
名称と別名
DTXSID5013237792-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-, hydrochloride, hydrate (1:1:1)RefChem:478278DTXCID80175318973360-54-0Bupivacaine hydrochloride hydrate(+/-)-1-Butyl-2',6'-pipecoloxylidide monohydrochloride, monohydrateBupivacaine (hydrochloride monohydrate)1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrate;hydrochlorideBupivacaine HCl H2-OUNII-7TQO7W3VT8Bupivacaine hydrochloride [EP]
名称をさらに表示
ブピバカイン 塩酸塩Bupivacaine HCl hydrateBupivacaine HCl H2O IP/USP/BP/EPBupivacaine Hydrochloride (300 mg)Bupivacaine Hydrochloride (500 mg)1-Butyl-N-(2,6-dimethylphenyl)piperidin-2-carboxamide HCl hydrate (1:1:1)1-Butyl-N-(2,6-dimethylphenyl)-2-piperidinecarboxamide hydrochloride hydrateBupivacaine Hydrochloride Monohydrate 1.0 mg/ml in Methanol (as anhydrous free base)1-butyl-N-(2,6-dimethylphenyl)-2-Piperidinecarboxamide hydrochloride hydrate (1:1:1)
物性
構造計算による物性
- 極性表面積
- 33.3 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 3
- 回転可能結合数
- 5
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 321
物理化学的性質
- 融点
- 255 · 255-259℃
- 貯蔵温度
- room temp
- 溶解性
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- 外見
- solid
- 水溶解度
- 50 mM · 水に 50mM まで、DMSO に 100mM まで、エタノールに 100mM まで可溶。
- 主な用途
- 法医学と毒物学医薬品（低分子化合物）獣医
- InChI
- InChI=1S/C18H28N2O.ClH.H2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3;;/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21);1H;1H2
- InChIKey
- HUCIWBPMHXGLFM-UHFFFAOYSA-N
- SMILES
- C(C1CCCCN1CCCC)(=O)NC1C(=CC=CC=1C)C.Cl.O
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
H300+H310+H330 (95.1%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 1 (97.6%)
安全データ
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGII
- risk_code
- 26/27/28
- hazard_code
- T+
- safety_code
- 22-36/37/39-45
- hazard_class
- 6.1
- Hazard Classifications
- Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 2 Oral
- ストレージクラス
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
化学と産業
応用分野
使用It is employed as Na+ channel blocker, local anesthetic and cAMP production inhibitor. It acts as a surfactant molecule possessing both hydrophilic and lipophilic properties, adrenergic antagonist, EC 3.1.1.8 (cholinesterase) inhibitor and EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor.
サプライヤー57 社
国药集团化学试剂有限公司86-21-63210123 · [email protected]
Wuhan Ruichi Technology Co., Ltd+undefined13545065237 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
济南诚汇双达生物有限公司053158897070 15550412551 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
天津茂田科技有限公司19102267946 · [email protected]
江苏豪隆化工有限公司0513-89083520 13328092525 · [email protected]
関連反応
0 件
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…