프탈로일암로디핀

Phthalimidoamlodipine

HCID 9871958

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 88150-62-3
표준 SMILES: CCOC(=O)C1=C(COCCN2C(=O)c3ccccc3C2=O)NC(C)=C(C(=O)OC)C1c1ccccc1Cl
InChIKey: AHHPZGUFLGCZCF-UHFFFAOYSA-N
분자식: C28H27ClN2O7
평균 분자량: 539 g/mol
단동위원소 질량: 538.15067888

이름 및 식별자

우선 이름: Phthalimidoamlodipine
IUPAC: 3-O-ethyl 5-O-methyl 4-(2-chlorophenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethoxymethyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
현지명: 프탈로일암로디핀
영어명: Phthaloyl amlodipine
분자식: C28H27ClN2O7
분자량: 538.98

이름 및 동의어

88150-62-3phthalimidoamlodipinePhthaloylamlodipineAmlodipine besilate impurity A9QAO5CRP93DTXSID30893841UNII-9QAO5CRP933,5-Pyridinedicarboxylic acid, 4-(2-chlorophenyl)-2-((2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethoxy)methyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl esterAmlodipine besilate impurity A [EP]EC 413-410-33-Ethyl 5-methyl (4RS)-4-(2-chlorophenyl)-2-((2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy)methyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate4-(2-Chloroethyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-2-((2-phthalimidoethoxy)methyl)-1,4-dihydropyridine

이름 더 보기

프탈로일암로디핀AMlodipine EP IMpurity A3-ethyl 5-methyl 4-(2-chlorophenyl)-2-((2-(1,3-dioxoisoindolin-2-yl)ethoxy)methyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate3,5-Pyridinedicarboxylicacid,4-(2-chlorophenyl)-2-[[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethoxy]Methyl]-1,4-dihydro-6-Methyl-,3-ethyl 5-Methyl esterAmlodipine-1Amlodipine imineAmlodipine EP Imp APHTHALOYL AMLODIPINEAmlodipine PhthalimideAmlodipine Impurity VI

4-(2-Chlorophenyl)-3-(ethoxycarbonyl)-5-(methoxycarbonyl)-6-methyl-2-((2-phthalimidoethoxy)methyl)-1,4-dihydropyridineAMLODIPINE BESILATE IMPURITY A [EP IMPURITY]3,5-Pyridinedicarboxylic acid, 4-(2-chlorophenyl)-2-[[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethoxy]methyl]-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl esterAMLODIPINE BESILATE IMPURITY A (EP IMPURITY)3, 5-Pyridinedicarboxylic acid, 4-(2-chlorophenyl)-2-((2-(1, 3-dihydro-1, 3-dioxo-2H-isoindol-2-yl) ethoxy)methyl)-1, 4-dihydro-6-methyl-, 3-ethyl 5-methyl ester3, 5-Pyridinedicarboxylic acid, 4-(2-chlorophenyl)-2-[[2-(1, 3-dihydro-1, 3-dioxo-2H-isoindol-2-yl) ethoxy]methyl]-1, 4-dihydro-6-methyl-, 3-ethyl 5-methyl ester3-Ethyl 5-Methyl (4RS)-4-(2-Chlorophenyl)-2-[[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy]methyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate3-ethyl-5-methyl-2-((2-phthalamidoethoxy)methyl)-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate

데이터베이스 식별자

CAS: 88150-62-3
PubChem CID: 9871958
DTXSID: DTXSID30893841
ChEMBL: CHEMBL295696
UNII: 9QAO5CRP93
EC Number: 413-410-3、618-121-8
Nikkaji: J1.078.255D

물성

구조 계산 물성

XLogP: 4.6
극성 표면적: 111 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 8
회전 가능 결합 수: 11
무거운 원자 수: 38
형식 전하: 0
복잡도: 999

물리화학적 성질

녹는점: 140 · 140-145°C
끓는 점: 654.1 · 654.1±55.0 °C(Predicted)
밀도: 1.321 · 1.321±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열 및 초음파 처리)
산도 계수 (pKa): 2.06 · 2.06±0.70(Predicted)
색상: 연한 노란색에서 밝은 노란색까지
수소이온지수(pH): 6.78 at · 6.78 at 20.4℃ and 10g/L
주요 응용: 의약품(소분자)
InChIKey: AHHPZGUFLGCZCF-UHFFFAOYSA-N
SMILES: C1(COCCN2C(=O)C3=C(C2=O)C=CC=C3)NC(C)=C(C(OC)=O)C(C2=CC=CC=C2Cl)C=1C(OCC)=O
LogP: 4.9 at · 4.9 at 30℃ and pH6.79

화학적 성질

Pale Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 12 reports by companies from 2 notifications to the ECHA C&L Inventory.

H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

유해성 정보

Regulatory InformationStatus: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/14007

Hazard Classes and Categories · 3건

Aquatic Chronic 4 (100%)

Hazardous to the aquatic environment (chronic) - category 4

Aquatic Chronic 4

안전 데이터

wgk: WGK 3
HS 번호: 2933399090
risk_code: 53
safety_code: 61
Hazard Classifications: Aquatic Chronic 4
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

N-(2-Hydroxyethyl)phthalimide 2-아세틸-3-(2-클로로페닐)아크릴산메틸에스테르 메틸3-아미노크로토네이트 Ethyl4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxyl]-3-oxobutanoate 2-[(2-Chlorophenyl)Methylene]-4-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethoxy]-3-oxobutanoic Acid Ethyl Ester 4-클로로아세트 초산에틸 3-아미노크로톤산메틸

공급사100 곳

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

湖北博杰生物科技有限公司0713-2060728 15629612610

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

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

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

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