匹普鲁多
- 中文名称：
- 匹普鲁多
- 中文别名：
- 匹普鲁多;
哌醋甲酯;
利他林
- 英文名称：
- 2-Piperidineaceticacid, a-phenyl-, methyl ester
- 英文别名：
- methyl 2-phenyl-2-piperidin-2-ylacetate;
Methylin;
Concerta(R);
Phenidylate;
[3H]-Methylphenidate;
Daytrana;
methylphenidate;
Methylphenidan;
Concerta;
Meridil;
Calocain;
Plimasine;
Metadate(R);
Metilfenidato;
Metadata ER
- CAS No.：
- 113-45-1
- 分 子 式：
-
C14H19NO2
- 分 子 量：
- 233.31
- 精确分子量：
- 233.14200
- PSA：
- 38.33000
- EINECS：
- 204-028-6
- InChI：
- The Key: DUGOZIWVEXMGBE-UHFFFAOYSA-N3
- 危险品标志：
-
- 风险术语：
-
- 安全术语：
-
- 分子结构式：
-
- SDS：
- 查看
匹普鲁多 物化性质
- 密度：
- 1.07g/cm3
- 沸点：
- 327.6ºC at 760mmHg
- 闪点：
- 152ºC
- 折射率：
- 1.523
- 蒸汽压：
- 0.000199mmHg at 25°C
匹普鲁多 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- TM3675000
- CHEMICAL NAME :
- 2-Piperidineacetic acid, alpha-phenyl-, methyl ester
- CAS REGISTRY NUMBER :
- 113-45-1
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 13
- MOLECULAR FORMULA :
- C14-H19-N-O2
- MOLECULAR WEIGHT :
- 233.34
- WISWESSER LINE NOTATION :
- T6MTJ BYR&VO1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - child
- DOSE/DURATION :
- 180 mg/kg/26W-I
- TOXIC EFFECTS :
- Behavioral - muscle contraction or spasticity
- REFERENCE :
- AJPSAO American Journal of Psychiatry. (American Psychiatric Assoc.,
Circulation Dept., 1400 K St., NW, Washington, DC 20005) V.78- 1921-
Volume(issue)/page/year: 143,1176,1985
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - child
- DOSE/DURATION :
- 2500 ug/kg/5D-I
- TOXIC EFFECTS :
- Skin and Appendages - dermatitis, allergic (after systemic exposure)
- REFERENCE :
- APHRER Annals of Pharmacotherpy. (Harvey Whitney Books Co., POB 42696,
Cincinnati, OH 45242) V. 26- 1992- Volume(issue)/page/year: 26,1378,1992
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 445 mg/kg/34W-I
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- HPCQA4 Human Pathology. (W.B. Saunders Co., W. Washington Sq.,
Philadelphia, PA 19105) V.1- 1970- Volume(issue)/page/year: 3,67,1972
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Human - woman
- DOSE/DURATION :
- 800 ug/kg
- TOXIC EFFECTS :
- Cardiac - other changes
Vascular - BP elevation not characterized in autonomic section
Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- JATOD3 Journal of Analytical Toxicology. (Preston Pub. Inc., POB 48312,
Niles, IL 60648) V.1- 1977- Volume(issue)/page/year: 10,209,1986
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 367 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PSCBAY Psychopharmacology Service Center, Bulletin. (Bethesda, MD) V.1-3,
1961-65. For publisher information, see PSYBB9. Volume(issue)/page/year:
2,17,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 430 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59,
1945-86. For publisher information, see PHTOEH Volume(issue)/page/year:
17,121,1960
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 48 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PSCBAY Psychopharmacology Service Center, Bulletin. (Bethesda, MD) V.1-3,
1961-65. For publisher information, see PSYBB9. Volume(issue)/page/year:
2,17,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 150 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PSEBAA Proceedings of the Society for Experimental Biology and Medicine.
(Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04-
Volume(issue)/page/year: 139,100,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 32 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JNPHAG Journal de Pharmacologie. (SPPIF, B.P.22, F-41353 Vineuil, France)
V.1- 1970- Volume(issue)/page/year: 17,37,1986
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 218 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4-
1898- Volume(issue)/page/year: 184,34,1970
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 41 mg/kg
- TOXIC EFFECTS :
- Behavioral - wakefulness
- REFERENCE :
- BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House,
Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year:
8,263,1961
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 60 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AGACBH Agents and Actions, A Swiss Journal of Pharmacology. (Birkhaeuser
Verlag, POB 133, CH-4010 Basel, Switzerland) V.1- 1969/70-
Volume(issue)/page/year: 3,28,1973
** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 200 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
匹普鲁多 分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：66.61
2、 摩尔体积（cm3/mol）：218.0
3、 等张比容（90.2K）：547.0
4、 表面张力（dyne/cm）：39.6
5、 极化率（10-24cm3）：26.40
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:4
5.互变异构体数量:无
6.拓扑分子极性表面积38.3
7.重原子数量:17
8.表面电荷:0
9.复杂度:249
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:2
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
