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55242-55-2生产厂家

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55242-55-2

55242-55-2结构式
55242-55-2结构式
  • 常用中文名:普罗潘非林
  • 常用英文名:Propentofylline
  • CAS号:55242-55-2
  • 分子式:C15H22N4O3
  • 分子量:306.360
  • 相关类别: 原料药 神经系统用药 脑代谢调节药
  • 发布时间:2018-03-28 08:00:00
  • 更新时间:2024-01-13 11:01:26
  • 丙烯茶碱是一种黄嘌呤衍生物,可抑制腺苷摄取并阻断磷酸二酯酶活性。丙戊茶碱具有神经保护、抗增殖和抗炎作用,可改善阿尔茨海默病或血管性痴呆患者的认知和痴呆严重程度。

化源商城直购

中文名 普罗潘非林
英文名 Propentofylline
中文别名 3-甲基-1-(5-氧代己基)-7-丙基嘌呤-2,6-二酮
丙戊茶碱
3,7-二氢-3-甲基-1-(5-氧己基)-7-丙基-1H-嘌呤.2,6-二酮:3,7-DIHYDRO-3-METHYL-1-(5-OXOHEXYL)-7-PROPYL-1H-PURINE-2,6-DIONE
英文别名 3-Methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione
1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-1-(5-oxohexyl)-7-propyl-
Propentofylline
3-methyl-1-(5-oxohexyl)-7-propylpurine-2,6-dione
Albert 285
MFCD00133785
密度 1.3±0.1 g/cm3
沸点 541.4±56.0 °C at 760 mmHg
熔点 64-66ºC
分子式 C15H22N4O3
分子量 306.360
闪点 281.2±31.8 °C
精确质量 306.169189
PSA 78.89000
LogP 1.38
外观性状 灰白色固体
蒸汽压 0.0±1.4 mmHg at 25°C
折射率 1.602
储存条件 −20°C
水溶解性 H2O: soluble12.4mg/mL
分子结构

1、 摩尔折射率:83.49

2、 摩尔体积(cm3/mol):243.4

3、 等张比容(90.2K):640.4

4、 表面张力(dyne/cm):47.9

5、 极化率(10-24cm3):33.10

计算化学

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:7

5.互变异构体数量:3

6.拓扑分子极性表面积75.5

7.重原子数量:22

8.表面电荷:0

9.复杂度:454

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

更多

1.性状:白色结晶性粉末,无臭,味苦。

2溶解度:易溶于甲醇、乙醇或丙酮,略溶于乙醚或水,难溶于正己烷。

3.熔点:69~70℃。

毒理学数据:

急性毒性LD50雄、雌小鼠,雄、雌大鼠(mg/kg):900,780,1150,940口服;168,170,180,195静脉注射;375,346,199,196腹腔注射;450,508,400,338皮下注射。

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO8438700
CHEMICAL NAME :
1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-1-(5-oxohexyl)-7-propyl-
CAS REGISTRY NUMBER :
55242-55-2
BEILSTEIN REFERENCE NO. :
1156290
LAST UPDATED :
199612
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C15-H22-N4-O3
MOLECULAR WEIGHT :
306.41

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
940 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 31,357,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
196 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 31,357,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
338 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 31,357,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 31,357,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
780 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 31,357,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
346 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 31,357,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
450 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 31,357,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
168 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 31,357,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
405 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 31,357,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
89 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 31,357,1986

符号 GHS07
GHS07
信号词 Warning
危害声明 H302-H312-H332
警示性声明 P280
个人防护装备 dust mask type N95 (US);Eyeshields;Gloves
危害码 (欧洲) Xn: Harmful;
风险声明 (欧洲) R20/21/22
危险品运输编码 NONH for all modes of transport
RTECS号 UO8438700
海关编码 2933990090

~88%

55242-55-2结构式

55242-55-2

文献:Hoechst Aktiengesellschaft Patent: US4289776 A1, 1981 ; US 4289776 A

~92%

55242-55-2结构式

55242-55-2

文献:Hoechst Aktiengesellschaft Patent: US5475002 A1, 1995 ;
上游产品  2

下游产品  1

化合物(I)和6-溴-2-己酮在甲醇-水-氢氧化钠中回流,可得丙戊茶碱。55242-55-2 preparation

海关编码 2933990090
中文概述 2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素 品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%