安眠酮
- 中文名称：
- 安眠酮
- 中文别名：
- 海米那;
2-甲基-3-邻甲苯基喹唑酮-[4];
2-甲基-3-(2-甲基苯基)-4(3H)喹唑啉酮;
甲喹酮
- 英文名称：
- 2-methyl-3-(2-methylphenyl)quinazolin-4-one
- 英文别名：
- 2-methyl-3-(2-methylphenyl)quinazolin-4-one;
Fadormir;
Metolquizolone;
Dormutil;
Dormigoa;
METHAQUALONE;
Dormogen;
Dorsedin;
Quaalude;
Cateudyl;
methaqualon;
Ortonal
- CAS No.：
- 72-44-6
- 分 子 式：
-
C16H14N2O
- 分 子 量：
- 250.29500
- 精确分子量：
- 250.11100
- PSA：
- 34.89000
- InChI：
- The Key: JEYCTXHKTXCGPB-UHFFFAOYSA-N3
- 风险术语：
- 11-23/24/25-39/23/24/25
- SDS：
- 查看
安眠酮 制备方法及用途
制备方法
由邻乙酰氨基苯甲酸(见00150)与邻氨基甲苯环合而成。将邻乙酰氨基苯甲酸的甲苯溶液在80℃、搅拌下加入邻氨基甲苯,再滴加三氯化磷甲苯溶液,回流反应即生成甲喹酮。
用途简介
本品为非苯二氮类催眠药。作用快而较强,一般在服药后20-30min内发生作用。持续6-8h。本品自消化道吸收后几乎全部在肝脏内代谢,经肾排出。它除排出。它除具有镇静催眠作用外,还有抗惊厥、解痉、局部麻醉和较弱的抗组胺作用。大鼠口服LD50为255mg/kg。
安眠酮 物化性质
- 密度：
- 1.16g/cm3
- 熔点：
- 120ºC
- 沸点：
- 406.9ºC at 760 mmHg
- 折射率：
- 1.623
安眠酮 安全信息
- 包装等级：
- III
- 风险类别：
- 6.1(b)
- 海关代码：
- 2933550011
- 危险类别码：
- 11-23/24/25-39/23/24/25
- 安全说明：
- 7-16-36/37-45
- 危险标志：
- F,T
安眠酮 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- VA3850000
- CHEMICAL NAME :
- 4(3H)-Quinazolinone, 2-methyl-3-o-tolyl-
- CAS REGISTRY NUMBER :
- 72-44-6
- BEILSTEIN REFERENCE NO. :
- 0211874
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 21
- MOLECULAR FORMULA :
- C16-H14-N2-O
- MOLECULAR WEIGHT :
- 250.32
- WISWESSER LINE NOTATION :
- T66 BVN ENJ CR B1& D1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human
- DOSE/DURATION :
- 57 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
Lungs, Thorax, or Respiration - other changes
Gastrointestinal - nausea or vomiting
- REFERENCE :
- ATXKA8 Archiv fuer Toxikologie. (Berlin, Fed. Rep. Ger.) V.15-31, 1954-74.
For publisher information, see ARTODN. Volume(issue)/page/year: 20,31,1963
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 114 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
Behavioral - changes in motor activity (specific assay)
Lungs, Thorax, or Respiration - acute pulmonary edema
- REFERENCE :
- ATXKA8 Archiv fuer Toxikologie. (Berlin, Fed. Rep. Ger.) V.15-31, 1954-74.
For publisher information, see ARTODN. Volume(issue)/page/year: 20,31,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 185 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc.,
Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
20037) V.6- 1963- Volume(issue)/page/year: 24,490,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 125 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 17,242,1967
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 420 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:
1,42,1959
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 180 mg/kg
- TOXIC EFFECTS :
- Behavioral - muscle weakness
Behavioral - stiffness
- REFERENCE :
- IJMRAQ Indian Journal of Medical Research. (Indian Council of Medical
Research, Ansari Nagar, New Delhi 110 029, India) V.1- 1913-
Volume(issue)/page/year: 69,1008,1979
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Parenteral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 500 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor
Behavioral - muscle contraction or spasticity
Behavioral - analgesia
- REFERENCE :
- PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation
of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1-
1967- Volume(issue)/page/year: 7,626,1973
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 235 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex)
Behavioral - ataxia
Gastrointestinal - nausea or vomiting
- REFERENCE :
- FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see
PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2-
1939- Volume(issue)/page/year: 27,413,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ATXKA8 Archiv fuer Toxikologie. (Berlin, Fed. Rep. Ger.) V.15-31, 1954-74.
For publisher information, see ARTODN. Volume(issue)/page/year: 20,31,1963
** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1300 mg/kg/30D-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - urine volume decreased
- REFERENCE :
- FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see
PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2-
1939- Volume(issue)/page/year: 27,413,1964
** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 11 gm/kg
- SEX/DURATION :
- male 3 day(s) pre-mating
female 3 day(s) pre-mating - 22 day(s) after
conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - musculoskeletal system
Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4
per # born alive)
- REFERENCE :
- EXPEAM Experientia. (Birkhaeuser Verlag, POB 133, CH-4010 Basel,
Switzerland) V.1- 1945- Volume(issue)/page/year: 19,183,1963
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 800 mg/kg
- SEX/DURATION :
- female 8-15 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
e.g., stunted fetus)
Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured
before birth)
- REFERENCE :
- EXPEAM Experientia. (Birkhaeuser Verlag, POB 133, CH-4010 Basel,
Switzerland) V.1- 1945- Volume(issue)/page/year: 33,1635,1977
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 1200 mg/kg
- SEX/DURATION :
- female 8-15 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - Central Nervous System
Reproductive - Specific Developmental Abnormalities - eye/ear
- REFERENCE :
- EXPEAM Experientia. (Birkhaeuser Verlag, POB 133, CH-4010 Basel,
Switzerland) V.1- 1945- Volume(issue)/page/year: 33,1635,1977
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 150 mg/kg
- SEX/DURATION :
- female 10 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetal death
Reproductive - Specific Developmental Abnormalities - other developmental
abnormalities
- REFERENCE :
- CAJPBD Proceedings of the Congenital Anomalies Research Association of
Japan. (Kyoto, Japan) No.1- 1961- Volume(issue)/page/year: 3,2,1963
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 900 mg/kg
- SEX/DURATION :
- female 8-16 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - musculoskeletal system
Reproductive - Effects on Embryo or Fetus - fetal death
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
10,244,1967
*** REVIEWS ***
TOXICOLOGY REVIEW
PHJOAV Pharmaceutical Journal. (Pharmaceutical Soc. of Great Britain, 1
Lambeth High St., London, SE1 7JN, UK) V.131- 1933-
Volume(issue)/page/year: 213,159,1974
TOXICOLOGY REVIEW
INTEAG Internist. (Springer-Verlag New York, Inc., Service Center, 44 Hartz
Way, Secaucus, NJ 07094) V.1- 1960- Volume(issue)/page/year: 15,7,1974
TOXICOLOGY REVIEW
CLCHAU Clinical Chemistry (Winston-Salem, NC). (American Assoc. for
Clinical Chemistry, 1725 K St., NW, Washington, DC 20006) V.1- 1955-
Volume(issue)/page/year: 19,361,1973
TOXICOLOGY REVIEW
ARVPAX Annual Review of Pharmacology. (Palo Alto, CA) V.1-15, 1961-75. For
publisher information, see ARPTDI. Volume(issue)/page/year: 5,447,1965
*** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***
NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA :
NOES - National Occupational Exposure Survey (1983)
NOES Hazard Code - X3715
No. of Facilities: 107 (estimated)
No. of Industries: 3
No. of Occupations: 3
No. of Employees: 4848 (estimated)
No. of Female Employees: 3062 (estimated)
安眠酮 海关数据
中国海关编码：2933550011
- 概述：
- HS:2933550011 甲氯喹酮,甲喹酮〔以及它们的盐〕 增值税率:17.0% 退税率:9.0% 监管条件:I 最低关税: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
- 监管条件：
- I.精神药物进(出)口准许证
- 摘要/Summary：
- HS:2933550011 2-methyl-3-(o-tolyl)quinazolin-4(3h)-one VAT:17.0% Tax rebate rate:9.0% Supervision conditions:i MFN tariff:6.5% General tariff:20.0%
安眠酮 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:0
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:32.7
7.重原子数量:19
8.表面电荷:0
9.复杂度:390
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