基本情報
- CAS
55-40-3- 標準SMILES
CC(N)(Cc1ccc(O)c(O)c1)C(=O)O- InChIKey
CJCSPKMFHVPWAR-UHFFFAOYSA-N- 分子式
- C10H13NO4
- 平均分子量
- 211.21 g/mol
- 単同位体質量
- 211.0844579
概要
3-Hydroxy-alpha-methyl-DL-tyrosine is a member of benzenes and a monocarboxylic acid.
名称と識別子
- 優先名称
- Alpha-methyldopa
- IUPAC
- 2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid
- 英語名
- 3-Hydroxy-alpha-methyl-DL-tyrosine
- 分子式
- C10H13NO4
- 分子量
- 211.21
名称と別名
MulfasinMetholesalpha-MethyldopaEINECS 209-088-7EINECS 200-232-4LMethyldopaalphaMethylLdopaLalphaMethyldopa()MethyldopaL(alphaMd)RefChem:5558743HydroxyalphamethylLtyrosine
名称をさらに表示
MethydopaDL-METHYLDOPADL-A-METHYL DOPATIMTEC-BB SBB000508DL-ALPHA-METHYL-DOPA(rs)-alpha-methyldopa(+-)-alpha-methyldoparacemicalpha-methyldopa
alphaMethylL3,4dihydroxyphenylalanineLalphaMethyl3,4dihydroxyphenylalanine3(3,4Dihydroxyphenyl)2methylLalanineL()3(3,4Dihydroxyphenyl)2methylalaninealphaMethylbeta(3,4dihydroxyphenyl)LalanineL()alphaMethylbeta(3,4dihydroxyphenyl)alanineL()beta(3,4Dihydroxyphenyl)alphamethylalanineL2Amino2methyl3(3,4dihydroxyphenyl)propionic acid
データベース識別子
- CAS
55-40-3、555-29-3、555-30-6- PubChem CID
- 4138
- DTXSID
DTXSID60970356- ChEMBL
CHEMBL718- ChEBI
CHEBI:180994- UNII
- 33TD13T99R
物性
構造計算による物性
- XLogP
- -1.9
- 極性表面積
- 104 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 5
- 回転可能結合数
- 3
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 246
実験および物理化学的性質
Chemical ClassesOther Uses -> Pharmaceuticals
Human DrugsBreast Feeding; Lactation; Milk, Human; Antihypertensive Agents; Adrenergic alpha-2 Receptor Agonists
Dissociation Constants2.21
物理化学的性質
- 貯蔵温度
- 20 °C · −20°C
- CAS データベース
- 555 · 555-29-3(CAS DataBase Reference)
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
Warning
H315 (19.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 47 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
Hazards Summary
Asthma reported in the pharmaceutical industry; [Malo] As an oral medication, methyldopa is used to treat hypertension. Many side effects have been reported after ingestion of therapeutic doses, including immune hemolytic anemia and drug-induced hepatitis. [HSDB]
Hazard Classes and CategoriesSkin Irrit. 2 (19.1%)
毒性情報
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
安全データ
- wgk
- 3
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26-36/37
化学と産業
薬理情報
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
上流・下流製品情報
下流製品
サプライヤー27 社
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関連反応
2 件
化合物ノート
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