匹莫林
- 中文名称：
- 匹莫林
- 中文别名：
- 匹莫林;
翠雀它明;
2-亚氨基-5-苯基-4-恶唑烷酮
- 英文名称：
- Pemoline
- 英文别名：
- pemoline;
H 310;
Fio;
la956;
phenylisohydantoin;
npl1;
cs293;
2-Imino-5-phenyl-4-oxazolidinone;
Hyton;
2-amino-5-phenyl-2-oxazolin-4-one;
PIO;
h3104;
Pemoline,2-Amino-5-phenyl-4(5H)-oxazolone;
2-amino-5-phenyl-4-oxazolinone;
Yh 1
- CAS No.：
- 2152-34-3
- 分 子 式：
-
C9H8N2O2
- 分 子 量：
- 176.17
- 精确分子量：
- 176.05900
- PSA：
- 64.68000
- EINECS：
- 218-438-8
- InChI：
- InChI=1/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12)3
- 风险术语：
- 11-22-34
- SDS：
- 查看
匹莫林 制备方法及用途
制备方法
由苯甲醛经与氯仿缩合、水解得到α-羟基苯乙酸,再经酯化、环合而得匹莫林。
用途简介
中枢兴奋药,用于治疗小儿多动症
匹莫林 物化性质
- 外观与性状：
- 白色至灰白色结晶粉末
- 密度：
- 1.4g/cm3
- 熔点：
- 243ºC
- 闪点：
- 143.4ºC
匹莫林 安全信息
- 海关代码：
- 2934999090
- 危险类别码：
- 11-22-34
- 安全说明：
- 16-26-36/37/39-45
- RTECS号：
- PB8750000
匹莫林 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- RQ2975000
- CHEMICAL NAME :
- 4-Oxazolidinone, 2-imino-5-phenyl-
- CAS REGISTRY NUMBER :
- 2152-34-3
- LAST UPDATED :
- 199706
- DATA ITEMS CITED :
- 16
- MOLECULAR FORMULA :
- C9-H8-N2-O2
- MOLECULAR WEIGHT :
- 176.19
- WISWESSER LINE NOTATION :
- T5OYMV EHJ BUM ER
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 536 ug/kg
- TOXIC EFFECTS :
- Behavioral - wakefulness
Gastrointestinal - decreased motility or constipation
Skin and Appendages - sweating
- REFERENCE :
- JCPYDR Journal of Clinical Pyschopharmacology. (Williams & Wilkins Co., 428
E. Preston St., Baltimore, MD 21202) V.1- 1981- Volume(issue)/page/year:
3,331,1983
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - child
- DOSE/DURATION :
- 2 mg/kg
- TOXIC EFFECTS :
- Behavioral - changes in motor activity (specific assay)
Behavioral - ataxia
- REFERENCE :
- JCPYDR Journal of Clinical Pyschopharmacology. (Williams & Wilkins Co., 428
E. Preston St., Baltimore, MD 21202) V.1- 1981- Volume(issue)/page/year:
9,125,1989
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Human - child
- DOSE/DURATION :
- 66 ug/kg/4W-I
- TOXIC EFFECTS :
- Liver - hepatitis (hepatocellular necrosis), diffuse
- REFERENCE :
- SMJOAV Southern Medical Journal. (Southern Medical Assoc., POB 2446,
Birmingham, AL 35205) V.1- 1908- Volume(issue)/page/year: 77,938,1984
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 436 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PBPSDY Pharmacological and Biochemical Properties of Drug Substances.
(American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC
20037) V.1- 1977- Volume(issue)/page/year: 1,33,1977
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 373 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PBPSDY Pharmacological and Biochemical Properties of Drug Substances.
(American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC
20037) V.1- 1977- Volume(issue)/page/year: 1,33,1977
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 365 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- YHTPAD Yaoxue Tongbao. Bulletin of Pharmacology. (China International Book
Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.13-23, 1978-88. For
publisher information, see ZYZAEU. Volume(issue)/page/year: 18,343,1983
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 365 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
Behavioral - excitement
Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- PBPSDY Pharmacological and Biochemical Properties of Drug Substances.
(American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC
20037) V.1- 1977- Volume(issue)/page/year: 1,33,1977
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 38 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation)
Behavioral - excitement
- REFERENCE :
- PBPSDY Pharmacological and Biochemical Properties of Drug Substances.
(American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC
20037) V.1- 1977- Volume(issue)/page/year: 1,33,1977
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Primate - monkey
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation)
Behavioral - excitement
Skin and Appendages - hair
- REFERENCE :
- PBPSDY Pharmacological and Biochemical Properties of Drug Substances.
(American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC
20037) V.1- 1977- Volume(issue)/page/year: 1,33,1977
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation)
Behavioral - excitement
- REFERENCE :
- PBPSDY Pharmacological and Biochemical Properties of Drug Substances.
(American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC
20037) V.1- 1977- Volume(issue)/page/year: 1,33,1977
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo,
Japan) Volume(issue)/page/year: -,1090,1990
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Bird - wild bird species
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
21,315,1972
** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 81900 mg/kg/78W-I
- TOXIC EFFECTS :
- Behavioral - excitement
Related to Chronic Data - death
- REFERENCE :
- PBPSDY Pharmacological and Biochemical Properties of Drug Substances.
(American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC
20037) V.1- 1977- Volume(issue)/page/year: 1,33,1977
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 150 mg/kg/4D-I
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - corneal damage
Behavioral - excitement
Related to Chronic Data - death
- REFERENCE :
- PBPSDY Pharmacological and Biochemical Properties of Drug Substances.
(American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC
20037) V.1- 1977- Volume(issue)/page/year: 1,33,1977
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 30712 mg/kg/78W-I
- TOXIC EFFECTS :
- Behavioral - excitement
- REFERENCE :
- PBPSDY Pharmacological and Biochemical Properties of Drug Substances.
(American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC
20037) V.1- 1977- Volume(issue)/page/year: 1,33,1977
** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 10 mg/kg
- SEX/DURATION :
- female 10 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetal death
- REFERENCE :
- CAJPBD Proceedings of the Congenital Anomalies Research Association of
Japan. (Kyoto, Japan) No.1- 1961- Volume(issue)/page/year: 3,2,1963
匹莫林 海关数据
中国海关编码：2934999090
- 概述：
- 2934999090. 其他杂环化合物. 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
- 摘要/Summary：
- 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
匹莫林 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）:0.9
2.氢键供体数量:1
3.氢键受体数量:2
4.可旋转化学键数量:1
5.互变异构体数量:5
6.拓扑分子极性表面积:64.7
7.重原子数量:13
8.表面电荷:0
9.复杂度:244
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:1
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