海米那

海米那 基本信息
CAS号 72-44-6 分子式 C16H14N2O
分子量 250.29500 精确质量 　250.11100
PSA 　34.89000 LogP 　3.00250

等价的CAS号：

72-44-6,81718-89-0,81882-39-5,93240-42-7
充值推广 查看更多供应商
目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 毒性 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
72-44-6
3D弹球模型：
立即前往扯扯看
分子式：
C16H14N2O
分子量：
250.29500
中文名称：
海米那
英文名称：
2-methyl-3-(2-methylphenyl)quinazolin-4-one
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
英文别名：
2-methyl-3-(2-methylphenyl)quinazolin-4-one;
Fadormir;
Metolquizolone;
Dormutil;
Dormigoa;
METHAQUALONE;
Dormogen;
Dorsedin;
Quaalude;
Cateudyl;
methaqualon;
Ortonal
精确分子量/精确质量：
250.11100
极性分子表面积/PSA：
34.89000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：
The Key: JEYCTXHKTXCGPB-UHFFFAOYSA-N

生产制备方法及用途展开↓

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。

物化性质展开↓

密度：
1.16g/cm3
熔点：
120ºC
沸点：
406.9ºC at 760 mmHg
折射率：
1.623

安全信息展开↓

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

合成路线查看所有的合成路线

  • 64-17-5

    乙醇

  • +

  • 4943-85-5

    2-氨基-n-(邻甲苯)苯甲酰胺

  • →

    ~97%

  • 72-44-6

    海米那

  • 636-21-5

    2-甲基苯胺 盐酸盐

  • +

  • 2719-08-6

    2-乙酰苯甲酸甲酯

  • →

    ~83%

  • 72-44-6

    海米那

  • 118-48-9

    靛红酸酐

  • +

  • 78-39-7

    原乙酸三乙酯

  • +

  • 95-53-4

    邻甲苯胺

  • →

    ~83%

  • 72-44-6

    海米那

毒理性展开↓

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)

海关数据查看详细

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%

分子结构与计算化学数据展开↓

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

上下游相关产品

上游产品

更多

  • 118-48-9

    靛红酸酐

  • 95-53-4

    邻甲苯胺

  • 89-52-1

    邻乙酰氨基苯甲酸

  • 2719-08-6

    2-乙酰苯甲酸甲酯

  • 64-17-5

    乙醇

下游产品

更多

  • 70180-39-1

    2-(acetylamino)-N-(2-methylphenyl)-Benzamide

  • 4943-85-5

    2-氨基-n-(邻甲苯)苯甲酰胺

  • 95-53-4

    邻甲苯胺

立即下载安装“化学加”APP
专业、功能强大，随时调用更加方便
下载APP