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5-(Dimethylaminoaethyl-oxyimino)-5H-dibenzo(a,d)cyclohepta-1,4-dien hydrochlorid
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Name

5-(Dimethylaminoaethyl-oxyimino)-5H-dibenzo(a,d)cyclohepta-1,4-dien hydrochlorid

 EINECS N/A
CAS No. 4985-15-3 Density g/cm3
PSA 24.83000 LogP 3.91780
Solubility N/A Melting Point 185-187°
Formula C19H22 N2 O . Cl H Boiling Point 415.6°Cat760mmHg
Molecular Weight 330.857 Flash Point 205.1°C
Transport Information N/A Appearance N/A
Safety Poison by ingestion, subcutaneous, intravenous, intramuscular, and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits very toxic fumes of NOx and HCl. Risk Codes N/A
Molecular Structure Molecular Structure of 4985-15-3 (10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-one O-[2-(dimethylamino)ethyl]oxime monohydrochloride) Hazard Symbols N/A
Synonyms

5H-Dibenzo[a,d]cyclohepten-5-one,10,11-dihydro-, O-[2-(dimethylamino)ethyl]oxime, monohydrochloride (9CI);Agedal; BAY 1521; CD 37B; Nogedal; Noxiptilin hydrochloride; Noxiptilinehydrochloride;O-(2-Dimethylaminoethyl)-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-one oximehydrochloride

 

5-(Dimethylaminoaethyl-oxyimino)-5H-dibenzo(a,d)cyclohepta-1,4-dien hydrochlorid Chemical Properties

Molecule structure of 5-(Dimethylaminoaethyl-oxyimino)-5H-dibenzo(a,d)cyclohepta-1,4-dien hydrochlorid (CAS NO.4985-15-3):

Molecular Weight: 330.85172 g/mol
Molecular Formula: C19H23ClN2O 
Boiling Point: 415.6 °C at 760 mmHg
Flash Point: 205.1 °C
Enthalpy of Vaporization: 66.87 kJ/mol 
Vapour Pressure: 4.08E-07 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Exact Mass: 330.149891
MonoIsotopic Mass: 330.149891
Topological Polar Surface Area: 26
Heavy Atom Count: 23
Complexity: 354 
Canonical SMILES: C[NH+](C)CCON=C1C2=CC=CC=C2CCC3=CC=CC=C31.[Cl-]
InChI: InChI=1S/C19H22N2O.ClH/c1-21(2)13-14-22-20-19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19;/h3-10H,11-14H2,1-2H3;1H
InChIKey: JIKBYFBMUAUPJS-UHFFFAOYSA-N
Classification Code of 5-(Dimethylaminoaethyl-oxyimino)-5H-dibenzo(a,d)cyclohepta-1,4-dien hydrochlorid (CAS NO.4985-15-3): Drug / Therapeutic Agent

5-(Dimethylaminoaethyl-oxyimino)-5H-dibenzo(a,d)cyclohepta-1,4-dien hydrochlorid Toxicity Data With Reference

1.    

orl-rat LD50:607 mg/kg

     FRPPAO    Farmaco, Edizione Pratica. 25 (1970),519.
2.    

ipr-rat LD50:149 mg/kg

     FRPPAO    Farmaco, Edizione Pratica. 25 (1970),519.
3.    

scu-rat LD50:985 mg/kg

     27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,84.
4.    

ivn-rat LD50:12 mg/kg

     KSRNAM    Kiso to Rinsho. Clinical Report. 6 (1972),1897.
5.    

ims-rat LD50:209 mg/kg

     FRPPAO    Farmaco, Edizione Pratica. 25 (1970),519.
6.    

orl-mus LD50:275 mg/kg

     KSRNAM    Kiso to Rinsho. Clinical Report. 6 (1972),1897.
7.    

ipr-mus LD50:93 mg/kg

     FRPPAO    Farmaco, Edizione Pratica. 25 (1970),519.
8.    

scu-mus LD50:212 mg/kg

     KSRNAM    Kiso to Rinsho. Clinical Report. 6 (1972),1897.
9.    

ivn-mus LD50:21,300 µg/kg

     KSRNAM    Kiso to Rinsho. Clinical Report. 6 (1972),1897.
10.    

ims-mus LD50:144 mg/kg

     FRPPAO    Farmaco, Edizione Pratica. 25 (1970),519.
11.    

 

5-(Dimethylaminoaethyl-oxyimino)-5H-dibenzo(a,d)cyclohepta-1,4-dien hydrochlorid Safety Profile

Poison by ingestion, subcutaneous, intravenous, intramuscular, and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits very toxic fumes of NOx and HCl.

5-(Dimethylaminoaethyl-oxyimino)-5H-dibenzo(a,d)cyclohepta-1,4-dien hydrochlorid Specification

  5-(Dimethylaminoaethyl-oxyimino)-5H-dibenzo(a,d)cyclohepta-1,4-dien hydrochlorid (CAS NO.4985-15-3) is also named as 5-(Dimethylaminooxyimino)-5H-dibenzo(a,b)cyclohepta-1,4-diene hydrochloride ; 5-(Dimetilaminoetiloximino-5H-dibenzo(a,d)cicloepta-1,4-diene) cloridrato ; 5-(Dimetilaminoetiloximino-5H-dibenzo(a,d)cicloepta-1,4-diene) cloridrato [Italian] ; 5-Dimethylaminoethyloxyimino-5H-dibenzo(a,d)cyclohepta-1,4-diene hydrochloride ; Agedal ; BAY 1521 ; EINECS 225-638-9 ; Elronon ; Nogedal ; Noxiptilin HCl ; Noxiptilin hydrochlorid ; Noxiptilin hydrochlorid [German] ; Noxiptiline hydrochloride ; Noxiptyline hydrochloride .

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