Pyrimethamine (CAS 58-14-0) — formula C12H13ClN4, molecular weight 248.71; category organic chemicals.
Documented applications: 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 is a carbon-based organic compound with CAS registry number 58-14-0 and molecular formula C12H13ClN4 (molecular weight 248.71), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 58-14-0
Its molecular formula C12H13ClN4 comprises 12 C, 13 H, 1 Cl, 4 N atoms.
Also known as: Pyrimethamine
Category: organic chemicals
The CAS registry number of Pyrimethamine is 58-14-0.
Molecular formula C12H13ClN4, molecular weight 248.71.
It is also registered under: Pyrimethamine.
Recorded applications: 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.
Category: Organic Chemicals.
Public-database records for Pyrimethamine (CAS 58-14-0), reproduced here for independent cross-checking.
| 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)
| 熔点 | 233.5 |
|---|---|
| 熔点 | 233.5 °C |
| 溶解度 | 121 |
| 溶解度 | 1.79e-01 g/L |
| LogP | 2.69 |
| LogP | log Kow = 2.69 |
| LogP | 2.7 |
| Dissociation Constants | 7.34 (at 20 °C) |
| CAS Registry Number | 58-14-0 |
|---|---|
| PubChem CID | 4993 |
| 分子式 | C12H13ClN4 |
| IUPAC 名称 | 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |
| UNII（FDA） | Z3614QOX8W |
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
| 分子量 | 248.71 |
|---|---|
| XLogP3 | 2.7 |
| 氢键供体数 | 2 |
| 氢键受体数 | 4 |
| 可旋转键数 | 2 |
| 精确质量 | 248.0828741 |
| 单同位素质量 | 248.0828741 |
| 拓扑极性表面积 | 77.8 |
| 重原子数 | 17 |
| 形式电荷 | 0 |
Pyrimethamine · CAS 58-14-0 · C12H13ClN4. UNII Z3614QOX8W. 熔点: 233.5; 熔点: 233.5 °C; 溶解度: 121.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.