制备方法

用作为抗结核病药。

用途简介

用途

用作为抗结核病药。

海关代码：

2933599090

WGK_Germany：

3
德国有关水污染物质的分类清单

危险类别码：

R11

安全说明：

S22-S24/25

RTECS号：

UQ2275000

安全标志：

S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。

危险标志：

F: Flammable;C: Corrosive;

CHEMICAL IDENTIFICATION

RTECS NUMBER :

UQ2275000

CHEMICAL NAME :

Pyrazinecarboxamide

CAS REGISTRY NUMBER :

98-96-4

BEILSTEIN REFERENCE NO. :

0112306

LAST UPDATED :

199806

DATA ITEMS CITED :

16

MOLECULAR FORMULA :

C5-H5-N3-O

MOLECULAR WEIGHT :

123.13

WISWESSER LINE NOTATION :

T6N DNJ BVZ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human - woman

DOSE/DURATION :

10 mg/kg

TOXIC EFFECTS :

Vascular - BP elevation not characterized in autonomic section

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

3 gm/kg

TOXIC EFFECTS :

Behavioral - excitement Behavioral - ataxia

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

3 gm/kg

TOXIC EFFECTS :

Behavioral - excitement Behavioral - ataxia

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1680 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 :

2973 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 :

Mammal - dog

DOSE/DURATION :

90 gm/kg/90D-I

TOXIC EFFECTS :

Liver - hepatitis (hepatocellular necrosis), zonal

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

328 gm/kg/78W-C

TOXIC EFFECTS :

Tumorigenic - equivocal tumorigenic agent by RTECS criteria Blood - lymphoma, including Hodgkin's disease

TYPE OF TEST :

TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

756 gm/kg/30W-C

TOXIC EFFECTS :

Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors

TYPE OF TEST :

Mutation test systems - not otherwise specified

TYPE OF TEST :

Cytogenetic analysis

MUTATION DATA

TEST SYSTEM :

Rodent - mouse

DOSE/DURATION :

500 mg/kg

REFERENCE :

MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 321,1,1994 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6080 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 307 (estimated) No. of Female Employees: 251 (estimated)

毒理学数据：

1、急性毒性：女性经口TDL0：10mg/kg；

中国海关编码：2933599090

概述：

2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 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：

2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. 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：31.36

2、  摩尔体积（cm³/mol）：94.5

3、  等张比容（90.2K）：270.0

4、  表面张力（dyne/cm）：66.4

5、  介电常数：

6、  偶极距（10^-24cm³）：

7、极化率：12.43

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:1

3.氢键受体数量:3

4.可旋转化学键数量:1

5.互变异构体数量:2

6.拓扑分子极性表面积68.9

7.重原子数量:9

8.表面电荷:0

9.复杂度:115

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

• 
  吡嗪甲酰胺质谱(MS)
• 
  吡嗪甲酰胺核磁图(¹³CNMR)
• 
  吡嗪甲酰胺核磁图(¹HNMR)
• 
  吡嗪甲酰胺红外图谱(IR1)
• 
  吡嗪甲酰胺红外图谱(IR2)