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

HCID 11200267

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 140171-66-0
표준 SMILES: COC(=O)C1=C(C)NC(COCCN)=C(C(=O)OC)C1c1ccccc1Cl
InChIKey: UDSAEMGNQXMCDF-UHFFFAOYSA-N
분자식: C19H23ClN2O5
평균 분자량: 394.8 g/mol
단동위원소 질량: 394.12954952

이름 및 식별자

우선 이름: 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
영어명: Amlodipine Dimethyl Ester
분자식: C19H23ClN2O5
분자량: 394.85

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 99.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 7
회전 가능 결합 수: 9
무거운 원자 수: 27
형식 전하: 0
복잡도: 632

물리화학적 성질

녹는점: 42 · 42-45°C
끓는 점: 516.6 · 516.6±50.0 °C(Predicted)
밀도: 1.247 · 1.247±0.06 g/cm3(Predicted)
저장 조건: Hygroscopic, Refrigerator, Under inert atmosphere
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 8.97 · 8.97±0.10(Predicted)
색상: 연한 노란색에서 노란색까지
안정성: 흡습성
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

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk: WGK 3
Hazard Classifications: Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1STOT RE 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야

용도Amlodipine Besilate (A633500) impurity.

공급사93 곳

天津始加生物医药科技有限公司15022261580 · [email protected]

上海策嵘生物科技有限公司[email protected]

济南百隆化学有限公司[email protected] · [email protected]

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]

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