Pyrimethamine（CAS 58-14-0）：分子式 C12H13ClN4、分子量 248.71；类别 有机化学品。
| CAS号 | 58-14-0 |
|---|---|
| 分子式 | C12H13ClN4 |
| 分子量 | 248.71 |
| 熔点 | 233.5 |
| LogP | 2.69 |
| 应用领域 | Uses: MEDICATION、MEDICATION (VET)、For the treatment of toxoplasmosis and acute malaria、For the prevention of malaria in areas non-resistant to pyrimethamine、Use Classification: Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients、Pharmaceuticals -> Animal Drugs -> Approved in Taiwan、Methods of Manufacturing: Ethyl propionate is condensed with p-chlorophenylacetonitrile in the presence of sodium methylate. The resulting alpha-propionyl-p-chlorophenylacetonitrile is reacted with isoamyl alcohol to form the hemiacetal which undergoes dehydration to alpha-(p-chlorophenyl)-beta-ethyl-beta-isoamyloxylacrylonitrile.、alpha-(p-Chlorophenyl)-beta-ethyl-beta-isoamyloxylacrylonitrile、is reacted with guanidine where upon cyclization occurs because of (a) the liberation of isoamyl alcohol by condensation involving the imino hydrogen of guanidine and the isoamyloxy group of alpha-(p-chlorophenyl)-beta-ethyl-beta-isoamyloxylacrylonitrile、and (b) an addition reaction involving an amino group of guanidine and nitrile group of alpha-(p-chlorophenyl)-beta-ethyl-beta-isoamyloxylacrylonitrile.、Formulations、Preparations: Daraprim Oral Tablets 25 mg、manufactured by GlaxoSmithKline |
| 类别 | Organic Chemicals |
登记用途：Uses: MEDICATION、MEDICATION (VET)、For the treatment of toxoplasmosis and acute malaria、For the prevention of malaria in areas non-resistant to pyrimethamine、Use Classification: Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients、Pharmaceuticals -> Animal Drugs -> Approved in Taiwan、Methods of Manufacturing: Ethyl propionate is condensed with p-chlorophenylacetonitrile in the presence of sodium methylate. The resulting alpha-propionyl-p-chlorophenylacetonitrile is reacted with isoamyl alcohol to form the hemiacetal which undergoes dehydration to alpha-(p-chlorophenyl)-beta-ethyl-beta-isoamyloxylacrylonitrile.、alpha-(p-Chlorophenyl)-beta-ethyl-beta-isoamyloxylacrylonitrile、is reacted with guanidine where upon cyclization occurs because of (a) the liberation of isoamyl alcohol by condensation involving the imino hydrogen of guanidine and the isoamyloxy group of alpha-(p-chlorophenyl)-beta-ethyl-beta-isoamyloxylacrylonitrile、and (b) an addition reaction involving an amino group of guanidine and nitrile group of alpha-(p-chlorophenyl)-beta-ethyl-beta-isoamyloxylacrylonitrile.、Formulations、Preparations: Daraprim Oral Tablets 25 mg、manufactured by GlaxoSmithKline。
Pyrimethamine 是一种以碳骨架为基础的有机化合物，登记 CAS 号为 58-14-0，分子式 C12H13ClN4（分子量 248.71），归属于有机化学品大类化工原料。
登记 CAS 号：58-14-0
其分子式 C12H13ClN4 由 12 个碳、13 个氢、1 个氯、4 个氮 组成。
别名/同义词：Pyrimethamine
所属分类：有机化学品
Pyrimethamine 的 CAS 登记号为 58-14-0。
分子式 C12H13ClN4，分子量 248.71。
别名/同义词：Pyrimethamine。
登记用途：Uses: MEDICATION、MEDICATION (VET)、For the treatment of toxoplasmosis and acute malaria、For the prevention of malaria in areas non-resistant to pyrimethamine、Use Classification: Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients、Pharmaceuticals -> Animal Drugs -> Approved in Taiwan、Methods of Manufacturing: Ethyl propionate is condensed with p-chlorophenylacetonitrile in the presence of sodium methylate. The resulting alpha-propionyl-p-chlorophenylacetonitrile is reacted with isoamyl alcohol to form the hemiacetal which undergoes dehydration to alpha-(p-chlorophenyl)-beta-ethyl-beta-isoamyloxylacrylonitrile.、alpha-(p-Chlorophenyl)-beta-ethyl-beta-isoamyloxylacrylonitrile、is reacted with guanidine where upon cyclization occurs because of (a) the liberation of isoamyl alcohol by condensation involving the imino hydrogen of guanidine and the isoamyloxy group of alpha-(p-chlorophenyl)-beta-ethyl-beta-isoamyloxylacrylonitrile、and (b) an addition reaction involving an amino group of guanidine and nitrile group of alpha-(p-chlorophenyl)-beta-ethyl-beta-isoamyloxylacrylonitrile.、Formulations、Preparations: Daraprim Oral Tablets 25 mg、manufactured by GlaxoSmithKline。
所属分类：Organic Chemicals。
Pyrimethamine（CAS 58-14-0）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 58-14-0 |
|---|---|
| PubChem CID | 4993 |
| Molecular formula | C12H13ClN4 |
| IUPAC name | 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |
| UNII (FDA) | Z3614QOX8W |
| Molecular Weight | 248.71 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 248.0828741 |
| Monoisotopic Mass | 248.0828741 |
| Topological Polar Surface Area | 77.8 |
| Heavy Atom Count | 17 |
| Melting Point | 233.5 |
|---|---|
| Melting Point | 233.5 °C |
| Solubility | 121 |
| Solubility | 1.79e-01 g/L |
| LogP | 2.69 |
| LogP | log Kow = 2.69 |
| LogP | 2.7 |
| Dissociation Constants | 7.34 (at 20 °C) |
pyrimethamine; 58-14-0; Daraprim; Chloridine; 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine; Chloridin; Diaminopyritamin; Ethylpyrimidine; Pirimecidan; Pirimetamin; Pirimetamina; Chloridyn; Darachlor; Erbaprelina; Khloridin; Tindurin
| Reported hazard statements | H302 (99.2%) |
|---|
H302 (99.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Pyrimethamine · CAS 58-14-0 · C12H13ClN4. UNII Z3614QOX8W. Melting Point: 233.5; Melting Point: 233.5 °C; Solubility: 121.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Pyrimethamine