1,4-디하이드로-2,6-디메틸-4-(3-니트로페닐)-3,5-피리딘디카르복실산3-(2-시아노에틸)5-메틸에스테르

3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2-cyanoethyl) 5-methyl ester

HCID 10916009
노트반응
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기본 정보

CAS
75130-24-4
표준 SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCC#N)C1c1cccc([N+](=O)[O-])c1
InChIKey
PVYKGJCGTZQNJL-UHFFFAOYSA-N
분자식
C19H19N3O6
평균 분자량
385.4 g/mol
단동위원소 질량
385.12738533

이름 및 식별자

우선 이름
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2-cyanoethyl) 5-methyl ester
IUPAC
5-O-(2-cyanoethyl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
현지명
1,4-디하이드로-2,6-디메틸-4-(3-니트로페닐)-3,5-피리딘디카르복실산3-(2-시아노에틸)5-메틸에스테르
영어명
1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 3-(2-Cyanoethyl) 5-Methyl Ester
분자식
C19H19N3O6
분자량
385.37

이름 및 동의어

3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2-cyanoethyl) 5-methyl ester3-(2-Cyanoethyl) 5-methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylateRefChem:487115616-188-875130-24-41,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-3,5-PYRIDINEDICARBOXYLIC ACID 3-(2-CYANOETHYL) 5-METHYL ESTER5-O-(2-Cyanoethyl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 3-(2-Cyanoethyl) 5-Methyl EPVYKGJCGTZQNJL-UHFFFAOYSA-NBarnidipine intermediateYV5RSR5LXV2-Cyanoethyl 5-(Methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
이름 더 보기
1,4-디하이드로-2,6-디메틸-4-(3-니트로페닐)-3,5-피리딘디카르복실산3-(2-시아노에틸)5-메틸에스테르WATA-005Lercanidipine Impurity 303-(2-cyanoethyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2-cyanoethyl) 5-methylester2,6-dimethyl-4-(3-nitrophenyl)-5-methoxycarbonyl-1,4-dihydropyridine-3-carboxylic acid 2-cyanoethyl ester
SCHEMBL9583587CHEMBL1098473SCHEMBL30876841DTXSID00448241AKOS030255619AG-G-99341FD219662-cyanoethyl Methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

데이터베이스 식별자

CAS
75130-24-4
PubChem CID
10916009
DTXSID
DTXSID00448241
ChEMBL
CHEMBL1098473
UNII
YV5RSR5LXV
EC Number
616-188-8

물성

구조 계산 물성

XLogP
2.2
극성 표면적
134 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
7
무거운 원자 수
28

물리화학적 성질

녹는점
128 · 128-131°C
끓는 점
573 · 573.0±50.0 °C(Predicted)
밀도
1.29 · 1.290±0.06 g/cm3(Predicted)
저장 조건
-20 °C · -20°C Freezer
용해도
DMSO(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태
고체

화학적 성질

1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 3-(2-Cyanoethyl) 5-Methyl Ester is White Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264+P265, P271, P280, P304+P340, P305+P351+P338, P319, P337+P317, 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.

유해성 정보

Regulatory InformationStatus: Active Update: 11-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17596
Hazard Classes and CategoriesEye Irrit. 2 (100%)

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H319

화학 및 산업

응용 분야

용도1,4-Dihydropyridine derivative is used in the prevention and therapy of atherosclerotic degradation of arterial walls

상·하류 제품 정보

공급사31 곳

济南百隆化学有限公司[email protected] · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
山东艾莎科技有限公司15092135101 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]

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