CAS No.57262-94-9,Setiptiline Suppliers

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Basic Information

Molecular Structure:
CAS No.:	57262-94-9
Name:	Setiptiline

Formula:	C₁₉H₁₉N
Molecular Weight:	261.367
Synonyms:	Org 8282;Setiptiline;Teciptilline;
EINECS:	260-653-4
Density:	1.15 g/cm³
Boiling Point:	421.7 °C at 760 mmHg
Flash Point:	185.5 °C
PSA:	3.24000
LogP:	3.77500

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Specification

The CAS register number of Setiptiline is 57262-94-9. It also can be called as 2,3,4,9-Tetrahydro-2-methyl-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine and the systematic name about this chemical is 2-methyl-2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine. The molecular formula about this chemical is C₁₉H₁₉N and the molecular weight is 261.36. Classification code about this chemical is Drug / Therapeutic Agent.

Physical properties about Setiptiline are: (1)ACD/LogP: 4.79; (2)ACD/LogD (pH 5.5): 2.14; (3)ACD/LogD (pH 7.4): 3.81; (4)ACD/BCF (pH 5.5): 5.79; (5)ACD/BCF (pH 7.4): 268.82; (6)ACD/KOC (pH 5.5): 21.61; (7)ACD/KOC (pH 7.4): 1003.18; (8)#H bond acceptors: 1; (9)Polar Surface Area: 3.24Å²; (10)Index of Refraction: 1.656; (11)Molar Refractivity: 83.11 cm³; (12)Molar Volume: 225.9 cm³; (13)Polarizability: 32.94x10^-24cm³; (14)Surface Tension: 50.3 dyne/cm; (15)Enthalpy of Vaporization: 67.57 kJ/mol; (16)Boiling Point: 421.7 °C at 760 mmHg; (17)Vapour Pressure: 2.56E-07 mmHg at 25°C.

The Setiptiline is a tetracyclic antidepressant (TeCA) which acts as a noradrenergic and specific serotonergic antidepressant (NaSSA).

You can still convert the following datas into molecular structure:
(1)SMILES: c42c(\C3=C(/c1ccccc1C2)CN(C)CC3)cccc4
(2)InChI: InChI=1/C19H19N/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20/h2-9H,10-13H2,1H3
(3)InChIKey: GVPIXRLYKVFFMK-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C19H19N/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20/h2-9H,10-13H2,1H3
(5)Std. InChIKey: GVPIXRLYKVFFMK-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	423mg/kg (423mg/kg)		Japanese Kokai Tokyo Koho Patents. Vol. #81-65825,
rat	LD50	oral	554mg/kg (554mg/kg)		United States Patent Document. Vol. #4447437,