1H-2,5-Benzoxazocine,3,4,5,6-tetrahydro-5-methyl-1-phenyl-
- 中文别名：奈福泮
- 中文释义：奈福泮;3-甲基-7-苯基-6-氧杂-3-氮杂双环[6.4.0]十二碳-8,10,12-三烯;3,4,5,6-四氢-5-甲基-1-苯基-1H--2,5-苯并唑辛;甲苯噁唑辛;萘福潘;萘福泮;平痛新;盐酸平痛新
- 英文别名：3-Methyl-7-phenyl-6-oxa-3-azabicyclo[6.4.0]dodeca-8,10,12-triene;
5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine;
5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine hydrochloride;
Nefopam
- CAS No.：13669-70-0
- 分子式：
C17H19NO
- 分子量：253.34
- 精确分子量：253.14700
- PSA：12.47000
- InChI：InChI=1/C17H19NO/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18/h2-10,17H,11-13H2,1H3
- 分子结构式：
物化性质
- 密度：
- 1.064g/cm3
- 沸点：
- 369.5ºC at 760 mmHg
- 闪点：
- 109ºC
- 折射率：
- 1.563
- 蒸汽压：
- 1.18E-05mmHg at 25°C
安全信息
- 密度：
- 1.064g/cm3
- 沸点：
- 369.5ºC at 760 mmHg
- 闪点：
- 109ºC
- 折射率：
- 1.563
- 蒸汽压：
- 1.18E-05mmHg at 25°C
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DM4210000
- CHEMICAL NAME :
- 1H-2,5-Benzoxazocine, 3,4,5,6,7-tetrahydro-5-methyl-1-phenyl-
- CAS REGISTRY NUMBER :
- 13669-70-0
- LAST UPDATED :
- 199703
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C17-H19-N-O
- MOLECULAR WEIGHT :
- 253.37
- WISWESSER LINE NOTATION :
- T68 HN KO&TJ H1 LR
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - woman
- DOSE/DURATION :
- 15 mg/kg
- TOXIC EFFECTS :
- Behavioral - changes in motor activity (specific assay) Cardiac - change in rate
- REFERENCE :
- BMJOAE British Medical Journal. (British Medical Assoc., BMA House, Tavistock Sq., London WC1H 9JR, UK) V.1- 1857- Volume(issue)/page/year: 283,1508,1981
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 17 mg/kg
- TOXIC EFFECTS :
- Behavioral - hallucinations, distorted perceptions Behavioral - excitement Cardiac - pulse rate increase, without fall in BP
- REFERENCE :
- BMJOAE British Medical Journal. (British Medical Assoc., BMA House, Tavistock Sq., London WC1H 9JR, UK) V.1- 1857- Volume(issue)/page/year: 283,1508,1981
- 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 :
- USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4198424
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 50 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation)
- REFERENCE :
- DDEVD6 Drug Development and Evaluation. (Gustav Fischer Verlag, Postfach 720143, D-7000 Stuttgart 70, Fed. Rep. Ger.) V.1- 1977- Volume(issue)/page/year: 3,10,1979
海关数据
中国海关编码：2933990090
- 概述：
- 2933990090. 其他仅含氮杂原子的杂环化合物. 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, 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：
- 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. 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）:2.9
2.氢键供体数量:0
3.氢键受体数量:2
4.可旋转化学键数量:1
5.互变异构体数量:无
6.拓扑分子极性表面积:12.5
7.重原子数量:19
8.表面电荷:0
9.复杂度:274
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
