CAS 916980-04-6|CAS 315-30-0|4-Hydroxypyrazolo-[3,4-d]-pyrimidine|4-Hydroxypyrazolo(3,4-d)pyrimidine|2H-pyrazolo[3,4-d]pyrimidin-4-ol|ALLOPURINOL|1H-pyrazolo[3,4-d]pyrimidin-4-ol|allopurinol|4-Hydro...

基本信息

化学结构

分子式

C₅H₄N₄O

分子量

136.11146

精确质量

136.03851077

电荷

0

InChI

InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)

InChIKey

OFCNXPDARWKPPY-UHFFFAOYSA-N

Canonic Smiles

Oc1ncnc2c1cn[nH]2

Isomeric Smiles

n1cnc2[nH]ncc2c1O

计算属性

JChem

LogD (pH = 7.4)

-0.01

LogD (pH = 5.5)

0.03

Log P

0.03

可自由旋转的化学键

0

质子供体

2

质子受体

4

里宾斯基五规则

true

Acid pKa

8.37

极化表面积

74.69

极化性

11.70

摩尔折射率

34.98

LOG S

-1.40

数据来源

产品目录

学术数据

数据来源

名称和标识

别名

4-Hydroxypyrazolo-[3,4-d]-pyrimidine4-Hydroxypyrazolo(3,4-d)pyrimidineALLOPURINOL4-Hydroxypyrazolo[3,4-d]pyrimidine1H-Pyrazolo(3,4-d)pyrimidin-4-olHPPallo PURINOL1H-Pyrazolo[3,4-d]pyrimidin-4-ol1,5-Dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one4-羟基吡唑并[3,4-d]嘧啶Allopurinol4-Hydroxy-1H-pyrazolo[3,4-d]pyrimidine4'-Hydroxypyrazolol(3,4-d)pyrimidineAllopurinolum4H-Pyrazolo(3,4-d)pyrimidin-4-one4-HPP4-Hydroxypyrazolyl(3,4-d)pyrimidineZyloprim (TN)4-Hydroxypyrazolo(3,4-d)pyrimidine1,5-Dihydro-4H-pyrazolo(3,4-d)pyrimidine-4-one4-Hydroxy-3,4-pyrazolopyrimidine4-HydroxypyrazolopyrimidineAlopurinolAL-100Allopurinol4-Hydroxy-1H-pyrazolo(3,4-d)pyrimidine1,5-Dihydro-4H-pyrazolo(3,4-d)pyrimidin-4-oneallopurinol1H-Pyrazolo(3,4-d)pyrimidin-4-ol

IUPAC标准名

2H-pyrazolo[3,4-d]pyrimidin-4-ol 1H-pyrazolo[3,4-d]pyrimidin-4-ol

IUPAC传统名

allopurinol @allopurinol alopurinol

商标名

Lopurin, Zyloprim

名称和标识

数据登录号

CAS号

916980-04-6315-30-0

MDL号

MFCD00599413