甲羟安定
- 中文名称：
- 甲羟安定
- 中文别名：
- 替马西泮;
甲羟安定
- 英文名称：
- 7-chloro-3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
- 英文别名：
- 7-chloro-3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;
7-chloro-3-hydroxy-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one;
3-hydroxydiazepam;
3-hydroxy-1,3-dihydro-1-methyl-7-chloro-5-phenyl-2H-1,4-benzodiazepin-2-one;
Hydroxydiazepam;
Remestan;
Methyloxazepam;
Euhypnos;
Normison;
temazepam;
Crisonar;
Oxydiazepam;
Levanxol;
Restoril
- CAS No.：
- 846-50-4
- 分 子 式：
-
C16H13ClN2O2
- 分 子 量：
- 300.74000
- 精确分子量：
- 300.06700
- PSA：
- 52.90000
- InChI：
- The Key: SEQDDYPDSLOBDC-UHFFFAOYSA-N3
- 风险术语：
- 22-39/23/24/25-23/24/25-11
- SDS：
- 查看
甲羟安定 物化性质
- 密度：
- 1.34g/cm3
- 熔点：
- 119-121ºC
- 沸点：
- 549.9ºC at 760 mmHg
- 闪点：
- 11ºC
- 折射率：
- 1.653
- 存储条件/存储方法：
- 库房通风低温干燥,与食品原料分开储运
甲羟安定 安全信息
- 危险类别码：
- 22-39/23/24/25-23/24/25-11
- 危险标志：
- Xn,T,F
甲羟安定 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DF1225000
- CHEMICAL NAME :
- 2H-1,4-Benzodiazepin-2-one,
7-chloro-1,3-dihydro-3-hydroxy-1-methyl-5-phenyl-
- CAS REGISTRY NUMBER :
- 846-50-4
- BEILSTEIN REFERENCE NO. :
- 0759300
- LAST UPDATED :
- 199704
- DATA ITEMS CITED :
- 14
- MOLECULAR FORMULA :
- C16-H13-Cl-N2-O2
- MOLECULAR WEIGHT :
- 300.76
- WISWESSER LINE NOTATION :
- T67 GNV JN IHJ CG G1 IQ KR
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human
- DOSE/DURATION :
- 600 ug/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- REFERENCE :
- HUPSEC Human Psychopharmacology. (John Wiley & Sons Ltd., Baffins Lane,
Chichester, W.Sussex PO19 1UD, United Kingdom) V.1- 1986-
Volume(issue)/page/year: 10,449,1995
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 429 ug/kg
- TOXIC EFFECTS :
- Behavioral - excitement
Behavioral - rigidity (including catalepsy)
- REFERENCE :
- JCLPDE Journal of Clinical Psychiatry. (Physicians Postgraduate Press,
Inc., POB 240008, Memphis, TN 38124) V.39- 1978-
Volume(issue)/page/year: 46,280,1985
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human
- DOSE/DURATION :
- 15430 ug/kg/12D-I
- TOXIC EFFECTS :
- Behavioral - muscle weakness
Gastrointestinal - changes in structure or function of salivary glands
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 22,93,1972
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - woman
- DOSE/DURATION :
- 600 ug/kg
- TOXIC EFFECTS :
- Behavioral - excitement
- REFERENCE :
- JCLPDE Journal of Clinical Psychiatry. (Physicians Postgraduate Press,
Inc., POB 240008, Memphis, TN 38124) V.39- 1978-
Volume(issue)/page/year: 46,280,1985
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DRUGAY Drugs. International Journal of Current Therapeutics and Applied
Pharmacology Reviews. (ADIS Press International Inc., Suite B-30, Oxford
Ct. Business Center, 582 Middletown Blvd., Langhorne, PA 19047) V.1- 1971-
Volume(issue)/page/year: 21,321,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 600 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DRUGAY Drugs. International Journal of Current Therapeutics and Applied
Pharmacology Reviews. (ADIS Press International Inc., Suite B-30, Oxford
Ct. Business Center, 582 Middletown Blvd., Langhorne, PA 19047) V.1- 1971-
Volume(issue)/page/year: 21,321,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 370 mg/kg
- TOXIC EFFECTS :
- Behavioral - anticonvulsant
- REFERENCE :
- EJPHAZ European Journal of Pharmacology. (Elsevier Science Pub. B.V., POB
211, 1000 AE Amsterdam, Netherlands) V.1- 1967- Volume(issue)/page/year:
4,467,1968
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 85 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: 185,135,1970
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 3620 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DRUGAY Drugs. International Journal of Current Therapeutics and Applied
Pharmacology Reviews. (ADIS Press International Inc., Suite B-30, Oxford
Ct. Business Center, 582 Middletown Blvd., Langhorne, PA 19047) V.1- 1971-
Volume(issue)/page/year: 21,321,1981
** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 117 gm/kg/2Y-C
- TOXIC EFFECTS :
- Blood - changes in cell count (unspecified)
Nutritional and Gross Metabolic - weight loss or decreased weight gain
Related to Chronic Data - death
- REFERENCE :
- FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year:
4,394,1984
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 45318 mg/kg/78W-C
- TOXIC EFFECTS :
- Related to Chronic Data - death
- REFERENCE :
- FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year:
4,394,1984
*** REVIEWS ***
IARC Cancer Review:Human Inadequate Evidence
IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals
to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210)
V.1- 1972- Volume(issue)/page/year: 66,161,1996
IARC Cancer Review:Animal Inadequate Evidence
IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals
to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210)
V.1- 1972- Volume(issue)/page/year: 66,161,1996
IARC Cancer Review:Group 3
IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals
to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210)
V.1- 1972- Volume(issue)/page/year: 66,161,1996
甲羟安定 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:3
4.可旋转化学键数量:1
5.互变异构体数量:3
6.拓扑分子极性表面积:52.9
7.重原子数量:21
8.表面电荷:0
9.复杂度:434
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