1-Propanamine,3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-methyl-
- 中文别名：去甲替林
- 中文释义：去甲替林;17beta-Hydroxy-17-methylandrosta-1,4-dien-3-one;Metandienone;Methandienone;Methandrostenolone;(17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-one;1-Dehydro-17a-methyltestosterone;美雄酮;trypan blue (dye cont. ca. 60%);Direct Blue 14 (C.I.);tetraso
- 英文别名：nortriptyline;
allegron;
Aventyl;
Sesaval;
notriptyline;
Avantyl;
desmethylamitriptyline;
[14C]-Nortriptyline;
NORTRIPTYLINE;
Psychostyl;
Ateben;
noramitriptyline;
lambeck;
Noritren;
Lumbeck
- CAS No.：72-69-5
- 分子式：
C19H21N
- 分子量：263.38
- 精确分子量：263.16700
- PSA：12.03000
- InChI：InChI=1/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3
- 分子结构式：
物化性质
- 密度：
- 1.084 g/cm3
- 沸点：
- 403.4ºC at 760 mmHg
- 闪点：
- 194.9ºC
- 折射率：
- 1.633
- 其它信息：
安全信息
- 密度：
- 1.084 g/cm3
- 沸点：
- 403.4ºC at 760 mmHg
- 闪点：
- 194.9ºC
- 折射率：
- 1.633
- 其它信息：
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- HO9800000
- CHEMICAL NAME :
- 5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N-methyl-
- CAS REGISTRY NUMBER :
- 72-69-5
- LAST UPDATED :
- 199707
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C19-H21-N
- MOLECULAR WEIGHT :
- 263.41
- WISWESSER LINE NOTATION :
- L C676 BY&T&J BU3M1
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 :
- 502 mg/kg
- TOXIC EFFECTS :
- Behavioral - muscle weakness Behavioral - ataxia Behavioral - muscle contraction or spasticity
- REFERENCE :
- HEPHD2 Handbook of Experimental Pharmacology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.50- 1978- Volume(issue)/page/year: 55,527,1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 22 mg/kg
- TOXIC EFFECTS :
- Behavioral - muscle weakness Behavioral - ataxia Behavioral - muscle contraction or spasticity
- REFERENCE :
- HEPHD2 Handbook of Experimental Pharmacology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.50- 1978- Volume(issue)/page/year: 55,527,1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 370 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 20,1561,1970
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 70 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 6,338,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 17 mg/kg
- TOXIC EFFECTS :
- Behavioral - changes in motor activity (specific assay)
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 17,65,1974 *** REVIEWS *** TOXICOLOGY REVIEW DICPBB Drug Intelligence and Clinical Pharmacy. (POB 42435, Cincinnati, OH 45242) V.3- 1969- Volume(issue)/page/year: 8,690,1974 TOXICOLOGY REVIEW CLCHAU Clinical Chemistry (Winston-Salem, NC). (American Assoc. for Clinical Chemistry, 1725 K St., NW, Washington, DC 20006) V.1- 1955- Volume(issue)/page/year: 19,361,1973 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4842 No. of Facilities: 25 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 2440 (estimated) No. of Female Employees: 1459 (estimated)
- 毒理学数据：
急性毒性：大鼠口经LD50：502 mg/kg；大鼠静脉LD50：22 mg/kg；
小鼠口经LD50：370 mg/kg；小鼠腹腔LD50：70 mg/kg；小鼠静脉LD50：17 mg/kg；
海关数据
中国海关编码：2921499090
- 概述：
- 2921499090 其他芳香单胺及衍生物及它们的盐. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
- 申报要素：
- 品名, 成分含量, 用途
- 摘要/Summary：
- 2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：86.76
2、 摩尔体积（m3/mol）：242.8
3、 等张比容（90.2K）：636.9
4、 表面张力（dyne/cm）：47.3
5、 极化率（10-24cm3）：34.39
计算化学数据
1.疏水参数计算参考值（XlogP）:无
2.氢键供体数量:1
3.氢键受体数量:1
4.可旋转化学键数量:3
5.互变异构体数量:无
6.拓扑分子极性表面积12
7.重原子数量:20
8.表面电荷:0
9.复杂度:307
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
