cas号： 7008-42-6 ，名称：阿克罗宁的性质/作用/用途-化学加百科

阿克罗宁

阿克罗宁基本信息
CAS号	7008-42-6	分子式	C20H19NO3
分子量	321.37000	精确质量	321.13600
PSA	40.46000	LogP	3.88450

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基本信息物化性质合成路线毒性结构与计算数据上下游

基本信息展开↓

CAS号：: 7008-42-6
3D弹球模型：: 立即前往扯扯看
分子式：: C20H19NO3
分子量：: 321.37000
中文名称：: 阿克罗宁
英文名称：: acronycine
中文别名：: 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
精确分子量/精确质量：: 321.13600
极性分子表面积/PSA：: 40.46000
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: SMPZPKRDRQOOHT-UHFFFAOYSA-N

物化性质展开↓

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

合成路线查看所有的合成路线

13255-08-8

13255-08-8
+
74-88-4

甲基碘
→

~97%
7008-42-6

阿克罗宁

13396-93-5

6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
+
74-88-4

甲基碘
→

~85%
7008-42-6

阿克罗宁

79228-40-3

6-(2-N-methylaminobenzoyl)-5,7-dimethoxy-2,2-dimethylchromene
→

~38%
7008-42-6

阿克罗宁
+
6232-35-5

2,11-Dihydro-5-methoxy-2,2,11-trimethyl-2H,6H-pyranoacridin-6-on

毒理性展开↓

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: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

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