Methyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate

HCID 13589972

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基本情報

CAS: 91431-01-5
標準SMILES: COC(=O)C(C)(Cc1ccc(O)c(O)c1)NN
InChIKey: IETYBXLXKYRFEN-UHFFFAOYSA-N
分子式: C11H16N2O4
平均分子量: 240.26 g/mol
単同位体質量: 240.111007

名称と識別子

優先名称: Methyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate
IUPAC: methyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate
英語名: Carbidopa Methyl Ester
分子式: C11H16N2O4
分子量: 240.26

名称と別名

Carbidopa Methyl Ester91431-01-5methyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate(S)-Carbidopa Methyl EsterCarbidopa Imp. E (EP); (S)-alpha-Hydrazino-3,4-dihydroxy-alpha-methyl-benzenepropanoic acid methyl ester; Methyl (2S)-3-(3,4-Dihydroxyphenyl)-2-hydrazino-2-methylpropanoate; Carbidopa Impurity ETWW64Q3Q5JRacemic carbidopa methyl esterSCHEMBL5834391DTXSID70544522IETYBXLXKYRFEN-UHFFFAOYSA-NMethyl (2S)-3-(3,4-Dihydroxyphenyl)-2-hydrazino-2-methylpropanoate (Carbidopa Methyl Ester)MFCD28898971

名称をさらに表示

Carbidopa Impurity 21Carbidopa Methyl Ester Racemateα-Hydrazino-3,4-dihydroxy-α-MethylhydrocinnaMic Acid Methyl Esterα-Hydrazinyl-3,4-dihydroxy-α-Methylbenzenepropanoic Acid Methyl EsterBenzenepropanoic acid, α-hydrazinyl-3,4-dihydroxy-α-methyl-, methyl ester

FC19697a-Hydrazino-3,4-dihydroxy-a-methylhydrocinnamic acid methymethyl 3-(3,4-dihydroxyphenyl)-2-hydrazino-2-methyl-propanoateMethyl 3-(3,4-dihydroxyphenyl)-2-hydrazino-2-methyl-propionateMethyl alpha-hydrazinyl-3,4-dihydroxy-alpha-methylbenzenepropanoatea-Hydrazinyl-3,4-dihydroxy-a-methylbenzenepropanoic acid methyl esterBenzenepropanoic acid, alpha-hydrazino-3,4-dihydroxy-alpha-methyl-, methyl esterBenzenepropanoic acid, alpha-hydrazinyl-3,4-dihydroxy-alpha-methyl-, methyl ester

データベース識別子

CAS: 91431-01-5
PubChem CID: 13589972
DTXSID: DTXSID70544522
UNII: TWW64Q3Q5J
EC Number: 828-480-4

物性

構造計算による物性

XLogP: 0.4
極性表面積: 105 Å²
水素結合供与体数: 4
水素結合受容体数: 6
回転可能結合数: 5
重原子数: 17
形式電荷: 0
複雑度: 274

物理化学的性質

融点: 54 °C · >54°C (dec.)
貯蔵温度: -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
溶解性: アセトニトリル（微量）、DMSO（微量）、メタノール（微量）
外見: 個体
色: オフホワイトからライトブラウン
安定性: 非常に吸湿性

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

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 H302

化学と産業

応用分野

使用Carbidopa (C175915) prodrug.

サプライヤー18 社

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

深圳鼎邦化学品有限公司15616500668 · [email protected]

Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]

凯试(上海)科技有限公司021-50135380 · [email protected]

深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]

化合物ノート

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