美噻吨盐酸盐

美噻吨盐酸盐 基本信息
CAS号 1553-34-0 分子式 C20H24ClNS
分子量 345.92900 精确质量 　345.13200
PSA 　28.54000 LogP 　5.75490
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目录
基本信息 物化性质 毒性 上下游

基本信息 展开↓

CAS号：
1553-34-0
3D弹球模型：
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分子式：
C20H24ClNS
分子量：
345.92900
中文名称：
美噻吨盐酸盐
英文名称：
Piperidine,1-methyl-3-(9H-thioxanthen-9-ylmethyl)-, hydrochloride (1:1)
中文别名：
美噻吨盐酸盐;
1-甲基-3-(9H-硫杂蒽-9-甲基)哌啶盐酸盐美噻吨盐酸盐;
p-(dimethylamino)cinnamic acid;
(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoic acid;
(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoate;
4-(Dimethylamino)cinnamic acid;
3,3-bis(p-Dimethylaminophenyl)-6-dimethylaminophthalate;
6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-1(3h)-isobenzofuranon;
6-(Dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]phthalide;
Pergascript Blue I 2R;
6-(dimethylamino)-3,3-bis(4-(dimethylamino)phenyl)-1(3h)-isobenzofuranone;
6-(DIMETHYLAMINO)-3,3-BIS[P-(DIMETHYLAMINO)PHENYL]PHTHALIDE;
3,3-BIS(P-DIMETHYLAMINOPHENYL)-6-DIMETHYLAMINOPHTHALIDE;
3,3-BIS-4-DIMETHYLAMINOPHENYL-6-DIMETHYLAMINOPHTHALIDE;
LABOTEST-BB LT00160000;
3,3-Bis-4-Dimethylaminophenyl7-6-Dimethylaminophthalide;
1(3H)-Isobenzofuranone, 6-(dimethylamino)-3,3-bis4-(dimethylamino)phenyl-;
6-Dimethylamino-3,3-bis(4-dimethylaminophenyl)-2-benzofuran-1-one;
6-(Dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]isobenzofuran-1(3H)-one;
6-Dimethylamino-3,3-bis(p-dimethylaminophenyl);
crystal violet lactone;
Tropicamide;
Bis
英文别名：
Piperidine,1-methyl-3-(9H-thioxanthen-9-ylmethyl)-, hydrochloride (1:1);
methypranol;
Trimepranol;
metipranolol;
Turoptin;
1-Methyl-3-thioxanthen-9-ylmethyl-piperidin,Hydrochlorid;
Methixenhydrochlorid;
metipronalol;
Metixene hydrochloride;
OptiPranolol;
1-methyl-3-thioxanthen-9-ylmethyl-piperidine,hydrochloride;
Disorat;
Metipranololum;
methixene hydrochloride
精确分子量/精确质量：
345.13200
极性分子表面积/PSA：
28.54000
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。
EINECS：
216-300-1
InChI：
InChI=1/C20H23NS.ClH.H2O/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20;;/h2-5,8-11,15,18H,6-7,12-14H2,1H3;1H;1H2

物化性质展开↓

沸点：
419.7ºC at 760 mmHg
闪点：
207.6ºC
蒸汽压：
2.99E-07mmHg at 25°C

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TN1944000
CHEMICAL NAME :
Piperidine, 1-methyl-3-(thioxanthen-9-ylmethyl)-, hydrochloride
CAS REGISTRY NUMBER :
1553-34-0
LAST UPDATED :
198812
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C20-H23-N-S.Cl-H
MOLECULAR WEIGHT :
345.96
WISWESSER LINE NOTATION :
T C666 BS IHJ I1- CT6NTJ A1 &GH

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 :
1460 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,824,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
295 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,824,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1519 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,824,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
24 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - convulsions or effect on seizure threshold Behavioral - changes in motor activity (specific assay)
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: 141,331,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
346 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,824,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
108 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,824,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
238 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,824,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
18 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 63,568,1964

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