度琉平

度琉平 基本信息
CAS号 113-53-1 分子式 C19H21NS
分子量 295.44200 精确质量  295.13900
PSA  28.54000 LogP  4.67570

等价的CAS号:

113-53-1,25627-37-6,25627-38-7

基本信息 展开↓

CAS号:
113-53-1
3D弹球模型:
立即前往扯扯看
分子式:
C19H21NS
分子量:
295.44200
中文名称:
度琉平
英文名称:
dothiepin
中文别名:
度琉平
英文别名:
dothiepin;
Dothep;
Dolsulepine;
dosulepin;
11(16H)-(3-[dimethylamino]propylidene)dibenz[b,e]thiopine;
Dosulepine;
DOTHIEPIN;
Prothiaden;
iz914;
11-(3-dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin;
Prothiadene;
Methiaden;
11-(3-Dimethylamino-propyliden)-6,11-dihydro-dibenzothiepin
精确分子量/精确质量:
295.13900
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:
204-031-2
InChI:
The Key: PHTUQLWOUWZIMZ-UHFFFAOYSA-N

物化性质展开↓

外观与性状:
淡黄色低熔点固体
密度:
1.148 g/cm3
熔点:
55-57ºC
沸点:
430.9ºC at 760 mmHg
闪点:
214.4ºC

安全信息展开↓

包装等级:
III
风险类别:
6.1(b)

合成路线查看所有的合成路线

  • 1531-85-7

    11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzothiepin-11-ol

  • 113-53-1

    度琉平

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UI1555000
CHEMICAL NAME :
Propylamine, N,N-dimethyl-3-(dibenzo(b,e)thiepin-delta-sup(11(6H), gamma))-
CAS REGISTRY NUMBER :
113-53-1
LAST UPDATED :
199712
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C19-H21-N-S
MOLECULAR WEIGHT :
295.47
WISWESSER LINE NOTATION :
T C676 BY IS JHJ BU3N1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - infant
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - coma Cardiac - arrhythmias (including changes in conduction)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
4500 ug/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
3214 ug/kg/12D-I
TOXIC EFFECTS :
Behavioral - changes in psychophysiological tests
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
2143 ug/kg/8D-I
TOXIC EFFECTS :
Behavioral - sleep Behavioral - hallucinations, distorted perceptions Behavioral - changes in psychophysiological tests
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
31 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
150 mg/kg
SEX/DURATION :
male 6 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)
TYPE OF TEST :
Cytogenetic analysis

MUTATION DATA

TEST SYSTEM :
Rodent - mouse
DOSE/DURATION :
150 mg/kg
REFERENCE :
ACNSAX Activitas Nervosa Superior. (Avicenum, Malostranske nam. 28, Prague 1, Czechoslovakia) V.1- 1959- Volume(issue)/page/year: 15,114,1973

分子结构与计算化学数据展开↓

分子结构数据


1、  摩尔折射率:95.07

2、  摩尔体积(cm3/mol):257.2

3、  等张比容(90.2K):687.4

4、  表面张力(dyne/cm):50.9

5、  极化率(10-24cm3):37.68

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