7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione,hydrochloride

7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione,hydrochloride 基本信息
CAS号 17140-68-0 分子式 C13H22ClN5O2
分子量 315.79900 精确质量 　315.14600
PSA 　65.06000 LogP 　0.57750
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目录
基本信息 物化性质 毒性

基本信息 展开↓

CAS号：
17140-68-0
3D弹球模型：
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分子式：
C13H22ClN5O2
分子量：
315.79900
英文名称：
7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione,hydrochloride
英文别名：
7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione,hydrochloride;
Etamiphyllin hydrochloride;
7-(2-(N,N-Diethylamino)ethyl)theophylline hydrochloride;
Etamiphyllin HCl;
Etamiphylline hydrochloride;
7-(2-Diaethylamino-aethyl)-1,3-dimethyl-3,7-dihydro-purin-2,6-dion,Hydrochlorid;
Theophylline,7-(2-(diethylamino)ethyl)-,hydrochloride;
EINECS 241-204-1;
Chlorhydrate de diethylaminoethyltheophylline [French];
1H-Purine-2,6-dione,7-(2-(diethylamino)ethyl)-3,7-dihydro-1,3-dimethyl-,hydrochloride;
7-(2-diethylamino-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione,hydrochloride
精确分子量/精确质量：
315.14600
极性分子表面积/PSA：
65.06000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：
The Key: WZNIVRAEOQQUIB-UHFFFAOYSA-N

物化性质展开↓

沸点：
460.2ºC at 760 mmHg
闪点：
232.1ºC
蒸汽压：
1.19E-08mmHg at 25°C

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5095500
CHEMICAL NAME :
Theophylline, 7-(2-(diethylamino)ethyl)-, hydrochloride
CAS REGISTRY NUMBER :
17140-68-0
LAST UPDATED :
199203
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C13-H21-N5-O2.Cl-H
MOLECULAR WEIGHT :
315.85
WISWESSER LINE NOTATION :
T56 BN DN FNVNVJ B2N2&2 F1 H1 &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
182 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - muscle contraction or spasticity
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 8,190,1958
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
127 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 103,146,1955
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