基本情報
- CAS
108139-78-2- 標準SMILES
COC(=O)C1=C(C)NC(c2ccccc2[N+](=O)[O-])NC1c1ccccc1[N+](=O)[O-]- InChIKey
AANAYIQNTXWIMX-UHFFFAOYSA-N- 分子式
- C19H18N4O6
- 平均分子量
- 398.4 g/mol
名称と識別子
- 優先名称
- Methyl 6-methyl-2,4-bis(2-nitrophenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- IUPAC
- methyl 6-methyl-2,4-bis(2-nitrophenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- 英語名
- methyl 2,4-bis{2-nitrophenyl}-6-methyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
- 分子式
- C19H18N4O6
- 分子量
- 398.37
名称と別名
108139-78-2methyl 6-methyl-2,4-bis(2-nitrophenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate80742-11-61,2,3,4-Tetrahydro-6-methyl-2,4-bis(2-nitrophenyl)-5-pyrimidinecarboxylic acid Methyl Estermethyl 2,4-bis{2-nitrophenyl}-6-methyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylateNifedipine Impurity 14METHYL 2,4-BIS[2-NITROPHENYL]-6-METHYL-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATENifedipine Impurity 7 (Mixture of cis and trans Isomers)H62600AQ-405/42300340(2R,4R)-rel-1,2,3,4-Tetrahydro-6-methyl-2,4-bis(2-nitrophenyl)-5-pyrimidinecarboxylic Acid Methyl EsNifedipine Impurity 7
名称をさらに表示
Nifedipine Impurity 10Nifedipine Impurity 7 (Mixture of cis and transIsomers)Nifedipine Impurity 30 (Mixture of cis and trans Isomers)Nifedipine Impurity 7(a mixture of cis and trans isomers)5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2,4-bis(2-nitrophenyl)-, methyl esterMethyl 6-methyl-2,4-bis(2-nitrophenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate (Nifedipine Impurity)
データベース識別子
- CAS
108139-78-2
物性
構造計算による物性
- XLogP
- 2.8
- 極性表面積
- 142 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 8
- 回転可能結合数
- 4
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 685
化学と産業
応用分野
使用1,2,3,4-Tetrahydro-6-methyl-2,4-bis(2-nitrophenyl)-5-pyrimidinecarboxylic acid Methyl Ester is an impurity of Nifedipine (N457000); a dihydropyridine calcium channel blocker. Also used as an antihypertensive and antianginal.
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