Pyrimethamine

CAS 58-14-0C12H13ClN4MW 248.71

Pyrimethamine（CAS 58-14-0）：分子式 C12H13ClN4、分子量 248.71；类别有机化学品。

规格参数

CAS号58-14-0

分子式C12H13ClN4

分子量248.71

熔点233.5

LogP2.69

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

用途与场景

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。

采购档案

这个产品是什么

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。

识别信息

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

常见问题

Pyrimethamine 的 CAS 号是多少？

Pyrimethamine 的 CAS 登记号为 58-14-0。

Pyrimethamine 的分子式与分子量是多少？

分子式 C12H13ClN4，分子量 248.71。

Pyrimethamine 还有哪些别名？

别名/同义词：Pyrimethamine。

Pyrimethamine 的登记用途是什么？

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 属于哪个分类？

所属分类：Organic Chemicals。

PubChem 公开数据

Pyrimethamine（CAS 58-14-0）的公开数据库记录，列此仅供独立核对。

危险化学品分类与危害说明

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)

物理形态与操作说明

Pyrimethamine is an odorless white crystalline powder. Tasteless. An antimalarial drug.
Solid
Crystals
White scored tablets contains 25 mg pyrimethamine /Daraprim/
451 to 453 °F (capillary) (NTP, 1992)
233-234 °C (capillary); 240-242 °C (copper block)

公开数据库收录的理化数据

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)

这个物质在各数据库里的编号

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

数据库记载的用途

For the treatment of toxoplasmosis and acute malaria; For the prevention of malaria in areas non-resistant to pyrimethamine
Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients
Pharmaceuticals -> Animal Drugs -> Approved in Taiwan
Breast Feeding; Lactation; Milk, Human; Anti-infective Agents; Antiparasitic Agents; Antimalarials; Antiprotozoal Agents
Antipneumocystosis and antitoxoplasmosis medicines
Pyrimethamine is an antiparasitic prescription medicine approved by the U.S. Food and Drug Administration (FDA) for the treatment of Toxoplasma gondiiinfection (toxoplasmosis). Pyrimethamine is usually used together with a sulfonamide (sulfa medicine) to treat toxoplasmosis.

它在各数据库里的别名

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

计算机算出的分子描述符

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

数据库摘要

Pyrimethamine · CAS 58-14-0 · C12H13ClN4. UNII Z3614QOX8W. 熔点: 233.5; 熔点: 233.5 °C; 溶解度: 121.

数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。