溴西泮
- 中文名称：
- 溴西泮
- 中文别名：
- 溴西泮;
7-溴-5-(2-吡啶基)-3H-1,4-苯并二氮杂卓-2(1H)-酮
- 英文名称：
- Bromazepam
- 英文别名：
- 7-bromo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one;
Lexaurin;
Lectopam;
7-bromo-1,3-dihydro-5-(2'-pyridyl)-2H-1,4-benzodiazepin-2-one;
[14C]-Bromazepam;
7-bromo-1,3-dihdyro-5-(pyrid-2'-yl)-2H-1,4-benzodiazepin-2-one;
Lekotam;
bromazepam;
Ultramidol;
Lexotan;
Lexilium;
Compedium;
7-bromo-1,3-dihydro-5-(pyridin-2-yl)-2H-1,4-benzodiazepin-2-one;
Creosedin;
Lexotanil;
7-bromo-1,3-dihydro-5-(2-pyridinyl)-2H-1,4-benzodiazepin-2-one
- CAS No.：
- 1812-30-2
- 分 子 式：
-
C14H10BrN3O
- 分 子 量：
- 316.15
- 精确分子量：
- 315.00100
- PSA：
- 54.35000
- MDL：
- MFCD00057902
- EINECS：
- 217-322-4
- InChI：
- The Key: VMIYHDSEFNYJSL-UHFFFAOYSA-N3
- 风险术语：
- R22;R36/37/38
- SDS：
- 查看
溴西泮 物化性质
- 密度：
- 1.6g/cm3
- 熔点：
- 237-238.5ºC (dec.)
- 沸点：
- 490.7ºC at 760mmHg
- 闪点：
- 11 °C
- 折射率：
- 1.712
- 蒸汽压：
- 8.94E-10mmHg at 25°C
- 存储条件/存储方法：
- 库房通风低温干燥
溴西泮 安全信息
- 包装等级：
- III
- 风险类别：
- 6.1(b)
- WGK_Germany：
- 3
德国有关水污染物质的分类清单
- 危险类别码：
- R22;R36/37/38
- 安全说明：
- S26-S36-S45-S36/37-S16
- RTECS号：
- DE9800000
- 危险标志：
- Xn: Harmful;
溴西泮 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DE9800000
- CHEMICAL NAME :
- 2H-1,4-Benzodiazepin-2-one,
7-bromo-1,3-dihydro-5-(2-pyridyl)-
- CAS REGISTRY NUMBER :
- 1812-30-2
- BEILSTEIN REFERENCE NO. :
- 0618645
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 26
- MOLECULAR FORMULA :
- C14-H10-Br-N3-O
- MOLECULAR WEIGHT :
- 316.18
- WISWESSER LINE NOTATION :
- T67 GMV JN IHJ CE K- BT6NJ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Human
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1950 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - lacrimation
Behavioral - altered sleep time (including change in righting reflex)
Behavioral - ataxia
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1660 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - effect, not otherwise specified
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 8800 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - effect, not otherwise specified
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Rectal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 879 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - effect, not otherwise specified
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Behavioral - convulsions or effect on seizure threshold
Lungs, Thorax, or Respiration - dyspnea
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 6870 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - effect, not otherwise specified
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Rectal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 1690 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 18750 mg/kg/30D-I
- TOXIC EFFECTS :
- Liver - changes in liver weight
Related to Chronic Data - death
Related to Chronic Data - changes in uterine weight
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 58240 mg/kg/26W-I
- TOXIC EFFECTS :
- Liver - changes in liver weight
Nutritional and Gross Metabolic - weight loss or decreased weight gain
Related to Chronic Data - changes in ovarian weight
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 35 mg/kg
- SEX/DURATION :
- female 7-13 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - musculoskeletal system
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Rectal
- DOSE :
- 180 mg/kg
- SEX/DURATION :
- female 17-22 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
gain)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Rectal
- DOSE :
- 210 mg/kg
- SEX/DURATION :
- female 14 day(s) pre-mating
female 1-7 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - musculoskeletal system
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Rectal
- DOSE :
- 21 mg/kg
- SEX/DURATION :
- female 14 day(s) pre-mating
female 1-7 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetal death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Rectal
- DOSE :
- 110 mg/kg
- SEX/DURATION :
- female 7-17 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Newborn - delayed effects
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Rectal
- DOSE :
- 11 mg/kg
- SEX/DURATION :
- female 7-17 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Newborn - behavioral
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Rectal
- DOSE :
- 60 mg/kg
- SEX/DURATION :
- female 17-22 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Newborn - stillbirth
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 875 mg/kg
- SEX/DURATION :
- female 7-13 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
e.g., stunted fetus)
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 35 mg/kg
- SEX/DURATION :
- female 7-13 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - pre-implantation mortality (e.g. reduction in
number of implants per female; total number of implants per corpora lutea)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 720 mg/kg
- SEX/DURATION :
- female 8-16 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - extra-embryonic structures
(e.g., placenta, umbilical cord)
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
e.g., stunted fetus)
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Rectal
- DOSE :
- 130 mg/kg
- SEX/DURATION :
- female 6-18 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured
before birth)
Reproductive - Effects on Embryo or Fetus - fetal death
MUTATION DATA
- TYPE OF TEST :
- Cytogenetic analysis
- TEST SYSTEM :
- Rodent - hamster Embryo
- DOSE/DURATION :
- 150 mg/L
- REFERENCE :
- MUTAEX Mutagenesis. (Oxford Univ. Press, Pinkhill House, Southfield Road,
Eynsham, Oxford OX8 1JJ, UK) V.1- 1986- Volume(issue)/page/year: 3,23,1988
溴西泮 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:10
6.拓扑分子极性表面积54.4
7.重原子数量:19
8.表面电荷:0
9.复杂度:385
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