制备方法

生产方法简述 靛红配制成钠盐，经开环生成邻氨基苯甲酰甲酸钠，再与苯乙酮进行环合，得到辛可芬钠，用乙酸或盐酸酸化即得辛可芬

合成制备方法

生产方法简述

靛红配制成钠盐，经开环生成邻氨基苯甲酰甲酸钠，再与苯乙酮进行环合，得到辛可芬钠，用乙酸或盐酸酸化即得辛可芬

用途简介

用途 解热镇痛药。用于急慢性关节炎、风湿痛、神经痛、腰痛、痛风、头痛等。

用途

用途

解热镇痛药。用于急慢性关节炎、风湿痛、神经痛、腰痛、痛风、头痛等。

包装等级：

III

风险类别：

6.1(b)

海关代码：

2933499090

危险类别码：

R22

安全说明：

S24/25

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。

危险标志：

Xn: Harmful;

CHEMICAL IDENTIFICATION

RTECS NUMBER :

GD4025000

CHEMICAL NAME :

Cinchoninic acid, 2-phenyl-

CAS REGISTRY NUMBER :

132-60-5

BEILSTEIN REFERENCE NO. :

0192803

LAST UPDATED :

199612

DATA ITEMS CITED :

8

MOLECULAR FORMULA :

C16-H11-N-O2

MOLECULAR WEIGHT :

249.28

WISWESSER LINE NOTATION :

T66 BNJ CR& EVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human

DOSE/DURATION :

214 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,177,1969

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Human - man

DOSE/DURATION :

74 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

85DCAI "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970 Volume(issue)/page/year: 2,73,1970

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

500 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 90,260,1947

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1500 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

LDTU** "Narkoseversuche mit Hoheren Alkoholen und Stickstoffderivaten, Dissertation," Leube, F., Pharmakologischen Institut der Universitat Tubingen, Fed. Rep. Ger., 1931 Volume(issue)/page/year: -,-,1931

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

200 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

350 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 116,154,1958

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

500 mg/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold

REFERENCE :

JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 74,365,1942 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

2800 mg/kg/7D-I

TOXIC EFFECTS :

Liver - other changes Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis)

REFERENCE :

JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 48,341,1933

毒理学数据：

急性毒性数据：

人类经口LDLo：214mg/kg

男人途径不详LDLo：74mg/kg

大鼠经口LDLo：500mg/kg

小鼠经口LDLo：1500mg/kg

小鼠腹腔LD50：200mg/kg

小鼠皮下LD50：350mg/kg

兔子途径不详LDLo：500mg/kg

其他多剂量数据：

大鼠经口TDLo：2800mg/kg/7D-I

中国海关编码：2933499090

概述：

2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素：

品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

摘要/Summary：

2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构数据

 

五、分子性质数据：

1、   摩尔折射率：73.70

2、   摩尔体积（m³/mol）：194.5

3、   等张比容（90.2K）：540.7

4、   表面张力（3.0 dyne/cm）：59.6

5、   极化率（0.5 10^-24cm³）：29.22

 

计算化学数据

1.疏水参数计算参考值（XlogP）:3.4

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:2

5.互变异构体数量:无

6.拓扑分子极性表面积50.2

7.重原子数量:19

8.表面电荷:0

9.复杂度:325

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

• 
  2-苯基-4-喹啉羧酸红外图谱(IR1)
• 
  2-苯基-4-喹啉羧酸红外图谱(IR2)
• 
  2-苯基-4-喹啉羧酸质谱(MS)
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  2-苯基-4-喹啉羧酸核磁图(¹³CNMR)