马吲哚
- 中文名称：
- 马吲哚
- 中文别名：
- 马吲哚;
美新达;
5-(4-氯苯基)-2,3-二氢-5-羟基-5H-咪唑并[2,1-a]异吲哚
- 英文名称：
- Mazindol
- 英文别名：
- 5-(4-chlorophenyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol;
5-(4-chlorophenyl)-2,3-dihydro-5H-imidazo[2,1-a]isoindol-5-ol;
Teronac;
5-(4-Chlorophenyl)-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-ol;
Mazindolum;
Mazanor;
5-(4-chloro-phenyl)-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-ol;
[3H]-Mazindol;
5-(4-chlorophenyl)-2,3-dihydro-5-hydroxy-5H-imidazo[2,1-a]isoindole;
Dimagrir;
5-(p-chlorophenyl)-2,3-dihydro-5-hydroxy-5H-imidazo[2,1-a]isoindole;
Magrilon;
Sanorex;
mazindol;
Mazindole;
Mazildene
- CAS No.：
- 22232-71-9
- 分 子 式：
-
C16H13ClN2O
- 分 子 量：
- 284.74
- 精确分子量：
- 284.07200
- PSA：
- 35.83000
- InChI：
- The Key: ZPXSCAKFGYXMGA-UHFFFAOYSA-N3
- 风险术语：
- 23/24/25
- SDS：
- 查看
马吲哚 物化性质
- 外观与性状：
- 白色
- 密度：
- 1.39
- 熔点：
- 215-217ºC
- 沸点：
- 454.9ºC at 760 mmHg
- 闪点：
- 228.9ºC
- 折射率：
- 1.704
- 蒸汽压：
- 4.57E-09mmHg at 25°C
马吲哚 安全信息
- 包装等级：
- II
- 风险类别：
- 6.1(a)
- 海关代码：
- 2933910016
- 危险类别码：
- 23/24/25
- 安全说明：
- 36/37/39-45
- 危险标志：
- T: Toxic;
马吲哚 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NI2975000
- CHEMICAL NAME :
- 3H-Imidazo(2,1-a)isoindol-5-ol,
5-(4-chlorophenyl)-2,5-dihydro-
- CAS REGISTRY NUMBER :
- 22232-71-9
- BEILSTEIN REFERENCE NO. :
- 0546547
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 15
- MOLECULAR FORMULA :
- C16-H13-Cl-N2-O
- MOLECULAR WEIGHT :
- 284.76
- WISWESSER LINE NOTATION :
- T B556 CN FN BU GHT&&J GQ GR DG
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - woman
- DOSE/DURATION :
- 140 ug/kg/1W-I
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 36300 ug/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 :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 91200 ug/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 :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1107 mg/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 :
- 44800 ug/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 :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 90 mg/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 :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 235 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 9 mg/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 :
- 98 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 :
- 546 mg/kg/26W-C
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - urine volume decreased
Kidney, Ureter, Bladder - proteinuria
Kidney, Ureter, Bladder - other changes in urine composition
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 13 ug/kg
- SEX/DURATION :
- male 1 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - testes, epididymis, sperm duct
Reproductive - Paternal Effects - impotence
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 330 mg/kg
- SEX/DURATION :
- female 7-17 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
e.g., stunted fetus)
MUTATION DATA
- TYPE OF TEST :
- Mutation in mammalian somatic cells
- TEST SYSTEM :
- Rodent - hamster Lung
- DOSE/DURATION :
- 1 gm/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE
Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 169,171,1986
马吲哚 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）:2.2
2.氢键供体数量:1
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:无
6.拓扑分子极性表面积:35.8
7.重原子数量:20
8.表面电荷:0
9.复杂度:419
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