4-Quinolinecarboxylicacid, 3-hydroxy-2-phenyl-
- 中文别名：羟辛可芬
- 中文释义：羟辛可芬;3-羟基-2-苯基-4-喹啉羧酸
- 英文别名：3-hydroxy-2-phenylquinoline-4-carboxylic acid;
Hydroxycinchophene;
3-hydroxy-2-phenyl-4-quinoline carboxylic acid;
Reumartril;
3-hydroxy-2-phenylquinoline-4-carboxylic cid;
Oxinofen;
Sintofene;
Magnophenyl;
2-Phenyl-3-hydroxy-chinchoninsaeure;
oxicinchophen;
3-hydroxy-2-phenyl-quinoline-4-carboxylic acid;
Oxycinchophen;
3-Hydroxy-2-phenylchinchoninsaeure;
Chinoxone;
Fenidrone;
Magnofenyl
- CAS No.：485-89-2
- 分子式：
C16H11NO3
- 分子量：265.27
- 精确分子量：265.07400
- PSA：70.42000
- InChI：The Key: XAPRFLSJBSXESP-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.374g/cm3
- 沸点：
- 457.7ºC at 760mmHg
- 闪点：
- 230.6ºC
- 折射率：
- 1.712
- 蒸汽压：
- 3.58E-09mmHg at 25°C
安全信息
- 密度：
- 1.374g/cm3
- 沸点：
- 457.7ºC at 760mmHg
- 闪点：
- 230.6ºC
- 折射率：
- 1.712
- 蒸汽压：
- 3.58E-09mmHg at 25°C
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- GD3900000
- CHEMICAL NAME :
- Cinchoninic acid, 3-hydroxy-2-phenyl-
- CAS REGISTRY NUMBER :
- 485-89-2
- BEILSTEIN REFERENCE NO. :
- 0224526
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C16-H11-N-O3
- MOLECULAR WEIGHT :
- 265.28
- WISWESSER LINE NOTATION :
- T66 BNJ CR& DQ EVQ
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 :
- 495 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: 103,79,1951
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 400 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JHHBAI Bulletin of the Johns Hopkins Hospital. (Baltimore, MD) V.1-119, 1889-1966. For publisher information, see JHMJAX. Volume(issue)/page/year: 86,89,1950
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 144 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: 103,79,1951
海关数据
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%
分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:3.6
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:2
5.互变异构体数量:4
6.拓扑分子极性表面积:70.4
7.重原子数量:20
8.表面电荷:0
9.复杂度:354
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
