(E)-Dosulepin

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Names

[ CAS No. ]:
113-53-1

[ Name ]:
(E)-Dosulepin

[Synonym ]:
1-Propanamine, 3-dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethyl-, (3E)-
11-(3-Dimethylamino-propyliden)-6,11-dihydro-dibenzo<b.e>thiepin
Methiaden
Dothiepin
Dolsulepine
Dosulepin
Prothiadene
Dosulepine
11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin
(3E)-3-(Dibenzo[b,e]thiepin-11(6H)-ylidene)-N,N-dimethyl-1-propanamine
досулепин
iz914
Dothep
trans-dothiepin
Prothiaden
11(16H)-(3-[dimethylamino]propylidene)dibenz[b,e]thiopine
EINECS 204-031-2

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
430.9±44.0 °C at 760 mmHg

[ Melting Point ]:
55-57ºC

[ Molecular Formula ]:
C19H21NS

[ Molecular Weight ]:
295.44

[ Flash Point ]:
214.4±28.4 °C

[ Exact Mass ]:
295.139465

[ PSA ]:
28.54000

[ LogP ]:
4.34

[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C

[ Index of Refraction ]:
1.661

Toxicological Information

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

Safety Information

[ RIDADR ]:
UN 3249

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

Synthetic Route

Precursor & DownStream

Precursor

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

DownStream

  • Dothiepin HCl

Related Compounds

  • (E)-N'-((1H-indol-3-yl)methylene)-3-((3,5-dihydroxy-1,2,4-triazin-6-yl)amino)propanehydrazide
  • (E and Z)-3-Ethylidenecyclohexene
  • (E,E)-2-<(4-methoxyphenyl)methylene>-3-(2-thienylmethylene)succinic anhydride
  • (E)-1-(4-fluorophenyl)-3-(naphthalen-2-yl)prop-2-en-1-one
  • (E)-1-phenyl-N-pyrimidin-2-ylmethanimine
  • (E)-5-benzylidene-3-ethoxycarbonyl-4-hydroxyfuran-2(5H)-one
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 6-Hexoxynaphthalene-2-carboxylic acid
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • 2-amino-3-(3-methoxybenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • 4-(4-((4-Fluorophenyl)sulfonyl)-2-(p-tolyl)oxazol-5-yl)morpholine