Introduction:Basic information about CAS 113-53-1|(E)-Dosulepin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (E)-Dosulepin |
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| CAS Number | 113-53-1 | Molecular Weight | 295.44 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 430.9±44.0 °C at 760 mmHg |
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| Molecular Formula | C19H21NS | Melting Point | 55-57ºC |
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| MSDS | / | Flash Point | 214.4±28.4 °C |
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Names
| Name | dothiepin |
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| Synonym | More Synonyms |
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(E)-Dosulepin BiologicalActivity
| Description | Dothiepin (Dosulepin; Dothep) is an antidepressant agent with sedative/anxiolytic activity. Dothiepin is an inhibitor preferring of noradrenaline uptake than serotonin uptake. Dothiepin facilitates noradrenergic neurotransmission via inhibiting the neuronal uptake. Dothiepin is also an antagonist of histamine H1-receptor without cardiotoxicity. Dothiepin exhibits significant analgesic activity in psychogenic facial pain,idiopathic fibromyalgia syndrome or rheumatoid arthritis[1]. |
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| Related Catalog | Signaling Pathways >>Immunology/Inflammation >>Histamine ReceptorResearch Areas >>Neurological DiseaseSignaling Pathways >>GPCR/G Protein >>5-HT ReceptorSignaling Pathways >>Neuronal Signaling >>5-HT ReceptorSignaling Pathways >>GPCR/G Protein >>Histamine Receptor |
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| Target | Histamine H1-receptor, Noradrenaline uptake (α1-and α2-adrenoceptors and serotonin 5HT1 and 5HT2-receptors)[1] |
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| References | [1]. Lancaster SG, et al. Dothiepin. A review of its pharmacodynamic and pharmacokinetic properties, and therapeutic efficacy in depressive illness. Drugs. 1989 Jul;38(1):123-47. |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 430.9±44.0 °C at 760 mmHg |
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| Melting Point | 55-57ºC |
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| Molecular Formula | C19H21NS |
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| Molecular Weight | 295.44 |
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| Flash Point | 214.4±28.4 °C |
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| Exact Mass | 295.139465 |
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| PSA | 28.54000 |
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| LogP | 4.34 |
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| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
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| Index of Refraction | 1.661 |
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| InChIKey | PHTUQLWOUWZIMZ-UHFFFAOYSA-N |
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| SMILES | CN(C)CCC=C1c2ccccc2CSc2ccccc21 |
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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 DATAACUTE 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
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Safety Information
| RIDADR | UN 3249 |
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| Packaging Group | III |
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| Hazard Class | 6.1(b) |
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Synonyms
| 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 |