制备方法

5-亚硝基-2,4,6-三氨基嘧啶和无水乙醇一起回流1h,加入部分量氰苄和乙醇钠,回流2h后再加入其余量氰苄和乙醇钠,继续回流5h,冷却至10℃左右,过滤,用沸水洗涤,得氨苯蝶啶粗品。将粗品、浓硫酸及活性炭加入水中,回流45min,趁热过滤,滤液加热至沸,加入ED-TA二钠盐,用浓氨水调节至pH9,过滤,洗涤,干燥,得成品。

合成制备方法

5-亚硝基-2，4，6-三氨基嘧啶和无水乙醇一起回流1h，加入部分量氰苄和乙醇钠，回流2h后再加入其余量氰苄和乙醇钠，继续回流5h，冷却至10℃左右，过滤，用沸水洗涤，得氨苯蝶啶粗品。将粗品、浓硫酸及活性炭加入水中，回流45min，趁热过滤，滤液加热至沸，加入ED-TA二钠盐，用浓氨水调节至pH9，过滤，洗涤，干燥，得成品。

 

用途简介

低效利尿药。用于低血钾及高氯酸血症及各种原因引起的顽固性水肿等。

用途

 

弱效利尿药。作用迅速而短暂，口服后2h开始利尿，6h达高峰，作用持续8-12h，临床用于心力衰竭，肝硬化和慢性肾炎等引起的顽固性水肿或腹水，亦用于对氢氯噻嗪 或螺内酯无产的病例。该品有排除尿酸作用，适用于治疗痛风。

包装等级：

III

风险类别：

6.1(b)

海关代码：

2933990090

WGK_Germany：

3
德国有关水污染物质的分类清单

危险类别码：

R22;R36/37/38

安全说明：

S26-S36/37/39-S45-S33-S24-S16-S7

RTECS号：

UO3470000

安全标志：

S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
:

危险标志：

Xn:Harmful;

CHEMICAL IDENTIFICATION

RTECS NUMBER :

UO3470000

CHEMICAL NAME :

Pteridine, 2,4,7-triamino-6-phenyl-

CAS REGISTRY NUMBER :

396-01-0

BEILSTEIN REFERENCE NO. :

0266723

LAST UPDATED :

199612

DATA ITEMS CITED :

21

MOLECULAR FORMULA :

C12-H11-N7

MOLECULAR WEIGHT :

253.30

WISWESSER LINE NOTATION :

T66 BN DN GN JNJ CZ EZ HR& IZ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human - woman

DOSE/DURATION :

42 mg/kg/3W-I

TOXIC EFFECTS :

Liver - hepatitis (hepatocellular necrosis), zonal Nutritional and Gross Metabolic - body temperature increase

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

400 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

200 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

285 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

249 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

620 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

25077 ug/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

25 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

157 mg/kg/3W-I

TOXIC EFFECTS :

Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

2700 mg/m3/15D-C

TOXIC EFFECTS :

Endocrine - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

6370 mg/m3/13W-C

TOXIC EFFECTS :

Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

8190 mg/kg/13W-C

TOXIC EFFECTS :

Endocrine - other changes Blood - changes in leukocyte (WBC) count Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

21840 mg/kg/2Y-C

TOXIC EFFECTS :

Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

34944 mg/kg/2Y-C

TOXIC EFFECTS :

Tumorigenic - neoplastic by RTECS criteria Liver - tumors

MUTATION DATA

TYPE OF TEST :

Sister chromatid exchange

TEST SYSTEM :

Rodent - hamster Lung

DOSE/DURATION :

12600 ug/L

REFERENCE :

SNSHBT Senshokutai. Chromosome. (Sensyokutai Gakkai, Kaokusai Kirisutokyo Daigaku, Mitaka, Tokyo-to, Japan) No.1- 1946- Adopted new numbering in 1976. Volume(issue)/page/year: (20),574,1980 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5679 No. of Facilities: 60 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 587 (estimated) No. of Female Employees: 310 (estimated)

毒理学数据：

二、毒理学数据：

急性毒性：不可用 。

生态数据：

三、生态学数据：

1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。

中国海关编码：2933990090

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

摘要/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%

分子结构数据

1、   摩尔折射率：73.76

2、   摩尔体积（m³/mol）：168.5

3、   等张比容（90.2K）：538.5

4、   表面张力（dyne/cm）：104.1

5、   极化率（10^-24cm³）：29.24

 

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:3

3.氢键受体数量:7

4.可旋转化学键数量:1

5.互变异构体数量:40

6.拓扑分子极性表面积130

7.重原子数量:19

8.表面电荷:0

9.复杂度:307

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

• 
  三氨蝶啶红外图谱(IR1)
• 
  三氨蝶啶红外图谱(IR2)
• 
  三氨蝶啶质谱(MS)