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- 7-氯-3-(4-甲基哌嗪-1-基)-1lambda~4~,2,4-苯并噻二嗪-1-醇 1-氧化
7-氯-3-(4-甲基哌嗪-1-基)-1lambda~4~,2,4-苯并噻二嗪-1-醇 1-氧化
7-氯-3-(4-甲基哌嗪-1-基)-1lambda~4~,2,4-苯并噻二嗪-1-醇 1-氧化 基本信息
- 中文名称：
- 7-氯-3-(4-甲基哌嗪-1-基)-1lambda~4~,2,4-苯并噻二嗪-1-醇 1-氧化
- 中文别名：
- 7-氯-3-(4-甲基哌嗪-1-基)-1lambda~4~,2,4-苯并噻二嗪-1-醇 1-氧化
- 英文名称：
- 2H-1,2,4-Benzothiadiazine,7-chloro-3-(4-methyl-1-piperazinyl)-, 1,1-dioxide
- 英文别名：
- 7-chloro-3-(4-methylpiperazin-1-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;
2H-1,2,4-BENZOTHIADIAZINE,7-CHLORO-3-(4-METHYL-1-PIPERAZINYL)-,1,1-DIOXIDE;
1,1-Dioxyd 3-(4-methylpiperazinyl-1)-7-chlor-2H-1,2,4-benzthiadiazin;
7-Chloro-3-(4-methyl-1-piperazinyl)-4H-1,2,4-benzothiadiazine-1,1-dioxide;
7-Chloro-3-(4-methyl-1-piperazinyl)-2H-1,2,4-benzothiadiazine-1,1-dioxide;
DU 717
- CAS No.：
- 59943-31-6
- 分 子 式：
- C12H15ClN4O2S
- 分 子 量：
- 314.82
- 精确分子量：
- 314.06000
- PSA：
- 73.39000
- InChI：
- The Key: JPZVJONKWYICFB-UHFFFAOYSA-N
- 安全术语：
- Poison by intravenous route. When heated to decomposition it emits toxic fumes of Cl−, SOx, and NOx.
- 分子结构式：
-
- SDS：
- 查看
7-氯-3-(4-甲基哌嗪-1-基)-1lambda~4~,2,4-苯并噻二嗪-1-醇 1-氧化 物化性质
- 密度：
- 1.57g/cm3
- 沸点：
- 483.6ºC at 760 mmHg
- 闪点：
- 246.3ºC
- 折射率：
- 1.712
- 存储条件/存储方法：
- 库房低温,通风,干燥
7-氯-3-(4-甲基哌嗪-1-基)-1lambda~4~,2,4-苯并噻二嗪-1-醇 1-氧化 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DK8187000
- CHEMICAL NAME :
- 2H-1,2,4-Benzothiadiazine,
7-chloro-3-(4-methyl-1-piperazinyl)-, 1,1-dioxide
- CAS REGISTRY NUMBER :
- 59943-31-6
- LAST UPDATED :
- 199310
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C12-H15-Cl-N4-O2-S
- MOLECULAR WEIGHT :
- 314.82
- WISWESSER LINE NOTATION :
- T66 BSWN EMJ IG D- AT6N DNTJ D1
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 :
- >5 gm/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - lacrimation
Behavioral - tremor
Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho
Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970-
Volume(issue)/page/year: 11,294,1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >1 gm/kg
- TOXIC EFFECTS :
- Behavioral - tremor
Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho
Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970-
Volume(issue)/page/year: 11,294,1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 551 mg/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho
Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970-
Volume(issue)/page/year: 11,294,1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - lacrimation
Behavioral - tremor
Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho
Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970-
Volume(issue)/page/year: 11,294,1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >2412 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor
Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho
Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970-
Volume(issue)/page/year: 11,294,1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 242 mg/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho
Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970-
Volume(issue)/page/year: 11,294,1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 400 mg/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho
Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970-
Volume(issue)/page/year: 11,294,1980
** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 499 gm/kg/26W-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - proteinuria
Endocrine - changes in thymus weight
Biochemical - Enzyme inhibition, induction, or change in blood or tissue
levels - transaminases
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho
Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970-
Volume(issue)/page/year: 11,294,1980
7-氯-3-(4-甲基哌嗪-1-基)-1lambda~4~,2,4-苯并噻二嗪-1-醇 1-氧化 分子结构与计算化学数据
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:4
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:73.4
7.重原子数量:20
8.表面电荷:0
9.复杂度:496
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
