替诺立定; 2-氨基-6-苄基-4,5,6,7-四氢噻吩并[2,3-c]吡啶-3-甲酸乙酯
- 中文名称：
- 替诺立定; 2-氨基-6-苄基-4,5,6,7-四氢噻吩并[2,3-c]吡啶-3-甲酸乙酯
- 中文别名：
- 2-氨基-6-甲基-4,5,6,7-四噻吩[2,3-C]吡啶-3-甲酸乙酯;
替诺立定
- 英文名称：
- Thieno[2,3-c]pyridine-3-carboxylicacid, 2-amino-4,5,6,7-tetrahydro-6-(phenylmethyl)-, ethyl ester
- 英文别名：
- ethyl 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;
Dimaten;
Tinoridine;
Y 3642;
2-Amino-6-benzyl-4,5,6,7-tetrahydro-thieno
- CAS No.：
- 24237-54-5
- 分 子 式：
-
C17H20N2O2S
- 分 子 量：
- 316.42
- 精确分子量：
- 316.12500
- PSA：
- 83.80000
- EINECS：
- 246-102-0
- InChI：
- The Key: PFENFDGYVLAFBR-UHFFFAOYSA-N3
- 分子结构式：
-
- SDS：
- 查看
替诺立定; 2-氨基-6-苄基-4,5,6,7-四氢噻吩并[2,3-c]吡啶-3-甲酸乙酯 物化性质
- 密度：
- 1.256 g/cm3
- 熔点：
- 112-113ºC
- 沸点：
- 493.5ºC at 760 mmHg
- 蒸汽压：
- 7E-10mmHg at 25°C
替诺立定; 2-氨基-6-苄基-4,5,6,7-四氢噻吩并[2,3-c]吡啶-3-甲酸乙酯 安全信息
替诺立定; 2-氨基-6-苄基-4,5,6,7-四氢噻吩并[2,3-c]吡啶-3-甲酸乙酯 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XJ9088300
- CHEMICAL NAME :
- Thieno(2,3-c)pyridine-3-carboxylic acid,
4,5,6,7-tetrahydro-2-amino-6-benzyl-, ethyl ester
- CAS REGISTRY NUMBER :
- 24237-54-5
- LAST UPDATED :
- 199706
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C17-H20-N2-O2-S
- MOLECULAR WEIGHT :
- 316.45
- WISWESSER LINE NOTATION :
- T56 BS HN&TJ CZ DVO2 H1R
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >10200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 20,998,1970
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1250 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 20,998,1970
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 5400 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 20,998,1970
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1600 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 20,998,1970
替诺立定; 2-氨基-6-苄基-4,5,6,7-四氢噻吩并[2,3-c]吡啶-3-甲酸乙酯 海关数据
中国海关编码：2934999090
- 概述：
- 2934999090. 其他杂环化合物. 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
- 摘要/Summary：
- 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
替诺立定; 2-氨基-6-苄基-4,5,6,7-四氢噻吩并[2,3-c]吡啶-3-甲酸乙酯 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）:3.4
2.氢键供体数量:1
3.氢键受体数量:5
4.可旋转化学键数量:5
5.互变异构体数量:3
6.拓扑分子极性表面积:83.8
7.重原子数量:22
8.表面电荷:0
9.复杂度:387
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
替诺立定; 2-氨基-6-苄基-4,5,6,7-四氢噻吩并[2,3-c]吡啶-3-甲酸乙酯 上游产品
