7H-Pyrano[2,3-c]acridin-7-one,3,12-dihydro-6-methoxy-3,3,12-trimethyl-
- 中文别名：阿克罗宁
- 中文释义：阿克罗宁;降真香碱
- 英文别名：acronycine;
ACRONYCINE;
6-Methoxy-3,3,12-trimethyl-3,12-dihydro-pyrano[2,3-c]acridin-7-on;
Acronine;
Acronina [INN-Spanish];
6-methoxy-3,3,12-trimethyl-3,12-dihydro-pyrano[2,3-c]acridin-7-one;
6-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one;
Acroninum [INN-Latin];
Acromycine
- CAS No.：7008-42-6
- 分子式：
C20H19NO3
- 分子量：321.37
- 精确分子量：321.13600
- PSA：40.46000
- InChI：The Key: SMPZPKRDRQOOHT-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.208 g/cm3
- 熔点：
- 175-176ºC
- 沸点：
- 489.821ºC at 760mmHg
- 闪点：
- 250.035ºC
- 折射率：
- 1.612
- 存储条件/存储方法：
- 库房通风低温干燥,与氧化剂、食品添加剂分开存放
安全信息
- 密度：
- 1.208 g/cm3
- 熔点：
- 175-176ºC
- 沸点：
- 489.821ºC at 760mmHg
- 闪点：
- 250.035ºC
- 折射率：
- 1.612
- 存储条件/存储方法：
- 库房通风低温干燥,与氧化剂、食品添加剂分开存放
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UQ0330000
- CHEMICAL NAME :
- 7H-Pyrano(2,3-c)acridin-7-one, 3,12-dihydro-6-methoxy-3,3,12-trimethyl-
- CAS REGISTRY NUMBER :
- 7008-42-6
- BEILSTEIN REFERENCE NO. :
- 0312954
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 13
- MOLECULAR FORMULA :
- C20-H19-N-O3
- MOLECULAR WEIGHT :
- 321.40
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 522 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 :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 613 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 :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Brain and Coverings - recordings from specific areas of CNS Behavioral - somnolence (general depressed activity)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1170 mg/kg/1Y-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Musculoskeletal - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 585 mg/kg/1Y-I
- TOXIC EFFECTS :
- Tumorigenic - neoplastic by RTECS criteria Skin and Appendages - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1800 mg/kg/1Y-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Tumorigenic - tumors at site of application
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 530 mg/kg/8W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors
MUTATION DATA
- TYPE OF TEST :
- Cytogenetic analysis
- TEST SYSTEM :
- Rodent - mouse Fibroblast
- DOSE/DURATION :
- 10 mg/L/24H
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 27,1549,1977
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:4
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:38.8
7.重原子数量:24
8.表面电荷:0
9.复杂度:543
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
