DOTHIEPIN -

CAS 113-53-1 MFCD00242922

化学结构图

113-53-1
SMILES: CN(C)CC/C=C1\c2ccccc2CSc2ccccc21

化学属性

Mol. FormulaC19H21NS
Mol. Weight295.44
Boiling Point-
Flash Point-

别名和识别编码

Chemical NameDOTHIEPIN
MDL Number-
CAS Number113-53-1
Chemical Name Translation-
EC Number200-659-6
Wiswesser Line NotationT C676 BY IS JHJ BU3N1&1
Synonym 11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin 3-Dibenzo(b,e)thiepin-11(6H)-ylidene-N,N-dimethyl-1-propamine Dosulepin Dothiepin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID5282426
InChIInChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
Canonical SMILESCN(C)CC/C=C1C2=CC=CC=C2SCC3=CC=CC=C/13
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安全信息

Storage condition +4°C 4 4°C 4℃ 储存温度2-8°C
RTECSUI1555000 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human
DOSE/DURATION           : 2143 ug/kg/8

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
REFERENCE :
   CCCCAK Collection of Czechoslovak Chemical Communications.  (Academic Press
   Inc. Ltd., 24-28 Ov

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)
REFERENCE :
   BMJOAE British Medical Journal.  (British Medical Assoc., BMA House,
   Tavistock Sq., London WC1H 9JR, UK)  V.1-    1857- Volume(issue)/page/year:
   288,1800,1984

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
REFERENCE :
   HUPSEC Human Psychopharmacology.  (John Wiley & Sons Ltd., Baffins Lane,
   Chichester, W.Sussex PO19 1UD, United Kingdom)  V.1-    1986-
   Volume(issue)/page/year: 12,337,1997

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)
REFERENCE :
   BMJOAE British Medical Journal.  (British Medical Assoc., BMA House,
   Tavistock Sq., London WC1H 9JR, UK)  V.1-    1857- Volume(issue)/page/year:
   2,97,1977

TYPE OF TEST            : Dominant lethal test
ROUTE OF EXPOSURE       : Intraperitoneal
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

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
REFERENCE :
   ACNSAX Activitas Nervosa Superior.  (Avicenum, Malostranske nam. 28, Prague
   1, Czechoslovakia) V.1-    1959-  Volume(issue)/page/year: 15,114,1973

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
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)
REFERENCE :
   ACNSAX Activitas Nervosa Superior.  (Avicenum, Malostranske nam. 28, Prague
   1, Czechoslovakia) V.1-    1959-  Volume(issue)/page/year: 15,114,1973

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Thiepin 锡平

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