compound introduction
(±)-2-异丙氧基乙氧基乙基 1,4-二氢-2,6-二甲基-4-(3-硝基苯基)-3,5-吡啶二甲酸酯是一种甲基酯、异丙基酯、苯并噁二唑和二氢吡啶
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3-O-methyl 5-O-propan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Dangerous GoodsCAS number：75695-93-1 molecular formula：C19H21N3O5
overview
Specs
| Chinese alias | - | ||
| English alias | 3-isopropyl 5-methyl 4-(benzo[c][1,2,5]oxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate | DynaCirc | ISOPROPYL METHYL (+/-)-4-(4-BENZOFURAZANYL)-1,4-DIHYDRO-2,6-DIMETHYL-3,5-PYRIDINEDICARBOXYLATE | Lomir | PN 200-110 | GTPL4488 | KBioSS_ | ||
| CAS number | 75695-93-1 | molecular formula | C19H21N3O5 |
| molecular weight | 371.4 | Exact mass | - |
| PSA | 104 | logp | 4.3 |
numbering system
| CAS | 75695-93-1 |
| UNII | YO1UK1S598 |
| RXCUI | 33910 |
| HMDB ID | HMDB0014415 |
| KEGG ID | D00349 |
| ChEBI ID | 6073 |
| Wikidata | Q414873 |
| ChEMBL ID | CHEMBL1648 |
| Wikipedia | Isradipine |
| NSC Number | NSC Number: NSC759892 |
| 废弃 CAS | 88977-22-4 |
| DrugBank ID | DB00270 |
| DrugCentral | 1511 |
| PharmGKB ID | PA450131 |
| PubChem CID | 3784 |
| Nikkaji Number | J33.142B |
| NCI 词表代码 | C47577 |
| Pharos Ligand ID | ZC55D4516PJZ |
| DSSTox Substance ID | DTXSID4023179 |
| Metabolomics Workbench ID | 42665 |
| European Community (EC) Number | 630-420-5 |
| PubChem Reference Collection SID | 483926725 |
| United States Adopted Name (USAN) | ISRADIPINE |
| International Nonproprietary Names (INN) | ISRADIPINE |
physicochemical properties
| LogP | 2.901 |
| XLogP3 | 4.3 |
| 熔点 | 168 - 170 °C |
| 复杂性 | 685 |
| 溶解度 | 2.28e-01 g/L |
| Exact Mass | 371.14812078 |
| Human Drugs | 药物 |
| 形式电荷 | 0 |
| 物理描述 | 固体 |
| 重原子计数 | 27 |
| Molecular Weight | 371.4 |
| Monoisotopic Mass | 371.14812078 |
| 可旋转键计数 | 6 |
| 氢键供体计数 | 1 |
| 氢键受体计数 | 8 |
| Kovats 保留指数 | 标准非极性: 2578.89 |
| 共价键单元计数 | 1 |
| 同位素原子计数 | 0 |
| 拓扑极性表面积 | 104 Ų |
| 定义键立体中心计数 | 0 |
| 定义原子立体中心计数 | 0 |
| 未定义键立体中心计数 | 0 |
| 未定义原子手性中心计数 | 1 |
Safety information
危害类别和分类：
水生慢性毒性1级(98%)
Drug Induced Liver Injury：
参考文献：DOI:10.1016/j.drudis.2019.09.022
Effects During Pregnancy and Lactation：
◉ 对哺乳和母乳的影响
Production methods and uses
purpose
用途：
计算去除率(%): 78.8
使用分类：
药物
工业应用参考：
工业分类参考：医药制造业。
应用场景参考：适用于产品性能验证、质量检测和过程控制等应用环节，可作为检测相关材料或实验耗材使用 。
作用参考：在电池、电子、信息材料和高端制造等技术方向，常被视为可拓展的功能材料或中间材料 。
选型提示：采购时应优先考虑适配性、可追溯性和持续供货能力，避免只按价格高低判断材料优劣 。
Related
upstream information
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downstream information
No downstream information yet
MSDS
Found 1 shareMSDS
75695-93-1 | Isradipine, United States Pharmacopeia (USP)Reference Standard.pdf
