制备方法

抗疟药,用于红斑狼疮和风湿性关节炎的治疗

用途简介

海关代码：

3004390090

安全标志：

S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。

CHEMICAL IDENTIFICATION

RTECS NUMBER :

KK3325000

CHEMICAL NAME :

Ethanol, 2-((4-((7-chloro-4-quinolyl)amino)pentyl)ethylamino)-

CAS REGISTRY NUMBER :

118-42-3

BEILSTEIN REFERENCE NO. :

0253894

LAST UPDATED :

199703

DATA ITEMS CITED :

6

MOLECULAR FORMULA :

C18-H26-Cl-N3-O

MOLECULAR WEIGHT :

335.92

WISWESSER LINE NOTATION :

T66 BNJ EMY1&3N2&2Q IG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human - child

DOSE/DURATION :

600 mg/kg

TOXIC EFFECTS :

Brain and Coverings - increased intracranial pressure Behavioral - convulsions or effect on seizure threshold Cardiac - other changes

REFERENCE :

JATOD3 Journal of Analytical Toxicology. (Preston Pub. Inc., POB 48312, Niles, IL 60648) V.1- 1977- Volume(issue)/page/year: 14,186,1990

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human - woman

DOSE/DURATION :

88 mg/kg/11D-I

TOXIC EFFECTS :

Skin and Appendages - dermatitis, allergic (after systemic exposure)

REFERENCE :

JAADDB Journal of the American Academy of Dermatology. (C.V. Mosby Co., 11830 Westline Industrial Dr., St. Louis, MO 63141) 1979- Volume(issue)/page/year: 12,857,1985

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human - woman

DOSE/DURATION :

112 mg/kg/2W-I

TOXIC EFFECTS :

Skin and Appendages - dermatitis, irritative (after systemic exposure)

REFERENCE :

JRHUA9 Journal of Rheumatology. (920 Yonge St., Suite 608, Toronto, Ont., Canada) V.1- 1974- Volume(issue)/page/year: 12,391,1985

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human

DOSE/DURATION :

429 mg/kg/25D

TOXIC EFFECTS :

Blood - agranulocytosis Skin and Appendages - dermatitis, other (after systemic exposure)

REFERENCE :

LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823- Volume(issue)/page/year: 1,1275,1965

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human - man

DOSE/DURATION :

154 mg/kg/18D-I

TOXIC EFFECTS :

Behavioral - toxic psychosis

REFERENCE :

JAADDB Journal of the American Academy of Dermatology. (C.V. Mosby Co., 11830 Westline Industrial Dr., St. Louis, MO 63141) 1979- Volume(issue)/page/year: 12,863,1985

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1240 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 12,184,1969

分子结构数据

1、  摩尔折射率：98.96

2、  摩尔体积（cm³/mol）：285.3

3、  等张比容（90.2K）：758.0

4、  表面张力（dyne/cm）：49.8

5、  极化率（10-24cm3）：39.23

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:2

3.氢键受体数量:4

4.可旋转化学键数量:9

5.互变异构体数量:3

6.拓扑分子极性表面积48.4

7.重原子数量:23

8.表面电荷:0

9.复杂度:331

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