アムロジピンジメチルエステル

Dimethyl 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

HCID 11200267

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 140171-66-0
標準SMILES: COC(=O)C1=C(C)NC(COCCN)=C(C(=O)OC)C1c1ccccc1Cl
InChIKey: UDSAEMGNQXMCDF-UHFFFAOYSA-N
分子式: C19H23ClN2O5
平均分子量: 394.8 g/mol
単同位体質量: 394.12954952

名称と識別子

優先名称: Dimethyl 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC: dimethyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
現地名: アムロジピンジメチルエステル
英語名: Amlodipine Dimethyl Ester
分子式: C19H23ClN2O5
分子量: 394.85

名称と別名

Dimethyl 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate5TQ5PD1804Dimethyl (4RS)-2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylateDimethyl (4RS)-2-[(2-Aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylateAMLODIPINE BESILATE IMPURITY F [EP IMPURITY]3,5-Dimethyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylateAMLODIPINE BESILATE IMPURITY F (EP IMPURITY)3,5-Dimethyl 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylateRefChem:588144958-278-2140171-66-0Amlodipine Dimethyl Ester

名称をさらに表示

アムロジピンジメチルエステルAmlodipine Related Compound FAmlodipine-6Amlodipine Imp FAmlodipine EP Imp FAmlodipine USP RC FAMlodipine IMpurity F(EP)Amlodipine impurities1738

Amlodipine EP Impurity FAmlodipine besilate impurity F3,5-Pyridinedicarboxylic acid, 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3,5-dimethyl esterDimethyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate(+/-)-3,5-Pyridinedicarboxylic acid, 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, dimethyl ester2-((2-Aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester3,5-Pyridinedicarboxylic acid, 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, dimethyl esterDimethyl2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

データベース識別子

CAS: 140171-66-0
PubChem CID: 11200267
DTXSID: DTXSID301111409
UNII: 5TQ5PD1804
EC Number: 958-278-2
Nikkaji: J455.172I

物性

構造計算による物性

XLogP: 2.6
極性表面積: 99.9 Å²
水素結合供与体数: 2
水素結合受容体数: 7
回転可能結合数: 9
重原子数: 27
形式電荷: 0
複雑度: 632

物理化学的性質

融点: 42 · 42-45°C
沸点: 516.6 · 516.6±50.0 °C(Predicted)
比重(密度): 1.247 · 1.247±0.06 g/cm3(Predicted)
貯蔵温度: Hygroscopic, Refrigerator, Under inert atmosphere
溶解性: クロロホルム（微量）、DMSO（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 8.97 · 8.97±0.10(Predicted)
色: 淡い黄色から黄色
安定性: 吸湿性
InChI: 1S/C19H23ClN2O5/c1-11-15(18(23)25-2)16(12-6-4-5-7-13(12)20)17(19(24)26-3)14(22-11)10-27-9-8-21/h4-7,16,22H,8-10,21H2,1-3H3
InChIKey: UDSAEMGNQXMCDF-UHFFFAOYSA-N
SMILES: Clc1c(cccc1)C2C(=C(NC(=C2C(=O)OC)C)COCCN)C(=O)OC

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P316, P305+P354+P338, P317, P319, P321, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 17 reports by companies from 1 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. 3 (100%)

安全データ

wgk: WGK 3
Hazard Classifications: Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1STOT RE 2
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野

使用Amlodipine Besilate (A633500) impurity.

サプライヤー93 社

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艾吉析科技（上海）有限公司17717235263 · [email protected]

怀化元研达生物技术有限责任公司18711085600 · [email protected]

化合物ノート

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