Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Methyl 2-amino-4-(2-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butane-1-sulfinyl}phenyl)-6-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate
XB 513 · methyl 2-amino-4-[2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylsulfinyl]phenyl]-6-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate · 3-Pyridinecarboxylic acid, 2-amino-1,4-dihydro-4-[2-[[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]sulfinyl]phenyl]-6-methyl-5-nitro-, methyl ester
![Methyl 2-amino-4-(2-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butane-1-sulfinyl}phenyl)-6-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate 분자 구조식](/img/chemical/183813.png)
식별자 및 물리적 특성
| CAS No. | 140941-86-2 |
|---|---|
| 분자식 | C29H37N5O6S |
| 평균 분자량 | 583.711 g/mol |
| 단동위원소 질량 | 583.2464549 g/mol |
| SMILES | COC(=O)C1=C(N)NC(C)=C([N+](=O)[O-])C1c1ccccc1S(=O)CCCCN1CCN(c2ccccc2OC)CC1 |
| InChIKey | JQTJGLURUUNKCA-UHFFFAOYSA-N |
| PubChem CID | 183813 |
| DTXSID | DTXSID30930962 |
화학 및 물리적 성질
| 끓는 점 | 780.3±60.0 °C(Predicted) |
|---|---|
| 밀도 | 1.36±0.1 g/cm3(Predicted) |
| pKa(산도 계수) | 7.71±0.10(Predicted) |