2-羟基-3-甲氧基苯甲酸
- 中文名称：
- 2-羟基-3-甲氧基苯甲酸
- 中文别名：
- 卡拉美芬;
卡拉米芬
- 英文名称：
- Cyclopentanecarboxylicacid, 1-phenyl-, 2-(diethylamino)ethyl ester
- 英文别名：
- 2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate;
Caramiphene [INN-French];
CYCLOPENTANECARBOXYLIC ACID,1-PHENYL-,2-(DIETHYLAMINO)ETHYL ESTER;
Caramiphenum [INN-Latin];
Pentaphen (pharmaceutical);
1-Phenyl-cyclopentan-1-carbonsaeure-<2-diethylamino-ethylester>;
1-Phenyl-cyclopentan-carbonsaeure-(1)-<2-diethylamino-ethylester>;
Parpanil;
Caramiphen;
EINECS 201-013-6;
Caramifenio [INN-Spanish];
1-phenyl-cyclopentanecarboxylic acid-(2-diethylamino-ethyl ester);
1-Phenyl-cyclopentancarbonsaeure-(2-diaethylamino-aethylester);
2-(Diethylamino)ethyl 1-phenylcyclopentanecarboxylate
- CAS No.：
- 77-22-5
- 分 子 式：
-
C18H27NO2
- 分 子 量：
- 289.416
- 精确分子量：
- 289.20400
- PSA：
- 29.54000
- EINECS：
- 201-013-6
- InChI：
- The Key: OFAIGZWCDGNZGT-UHFFFAOYSA-N3
- 危险品标志：
-
Xi:
- 风险术语：
- 36/37/38;
- 安全术语：
- S24/25;
- 分子结构式：
-
- SDS：
- 查看
2-羟基-3-甲氧基苯甲酸 物化性质
- 密度：
- 1.038g/cm3
- 沸点：
- 392.1ºC at 760 mmHg
- 闪点：
- 124.8ºC
- 折射率：
- 1.523
2-羟基-3-甲氧基苯甲酸 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- GY3700000
- CHEMICAL NAME :
- Cyclopentanecarboxylic acid, 1-phenyl-,
2-(diethylamino)ethyl ester
- CAS REGISTRY NUMBER :
- 77-22-5
- BEILSTEIN REFERENCE NO. :
- 2144901
- LAST UPDATED :
- 199706
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C18-H27-N-O2
- MOLECULAR WEIGHT :
- 289.46
- WISWESSER LINE NOTATION :
- L5TJ AVO2N2&2 AR
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 80 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- APPNAH Acta Physiologica et Pharmacologica Neerlandica. (Amsterdam,
Netherlands) V.1-15, 1950-69. For publisher information, see EJPHAZ.
Volume(issue)/page/year: 1,4,1950
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 180 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica,
Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year:
111,293,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 365 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- HPPAAL Helvetica Physiologia et Pharmacologica Acta. (Basel, Switzerland)
V.1-26, 1943-68. Discontinued. Volume(issue)/page/year: 16,277,1958
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 570 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- HPPAAL Helvetica Physiologia et Pharmacologica Acta. (Basel, Switzerland)
V.1-26, 1943-68. Discontinued. Volume(issue)/page/year: 16,277,1958
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 67 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- SMWOAS Schweizerische Medizinische Wochenschrift. (Schwabe & Co.,
Steintorst 13, 4010 Basel, Switzerland) V.50- 1920-
Volume(issue)/page/year: 76,1282,1946
2-羟基-3-甲氧基苯甲酸 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）:3.9
2.氢键供体数量:0
3.氢键受体数量:3
4.可旋转化学键数量:8
5.互变异构体数量:无
6.拓扑分子极性表面积:29.5
7.重原子数量:21
8.表面电荷:0
9.复杂度:313
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
推荐供应商
湖北恩星生物科技有限公司
卡拉美芬
- 联系人：邵经理
- 电 话：16621771607
- 手 机：16621771607
- Cas号：77-22-5
- 包装：100kg,200kg,300kg,400kg,500kg
- 纯度：
- 价格：64.0元 - 100.0元
Xi: