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1225-65-6

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Basic Information
CAS No.: 1225-65-6
Name: (dimethyl)[10H-pyrido[3,2-b][1,4]benzothiazine-10-propyl]ammonium chloride
Article Data: 1
Molecular Structure:
Molecular Structure of 1225-65-6 ((dimethyl)[10H-pyrido[3,2-b][1,4]benzothiazine-10-propyl]ammonium chloride)
Formula: C16H19 N3 S . Cl H
Molecular Weight: 321.874
Synonyms: 10H-Pyrido[3,2-b][1,4]benzothiazine,10-[3-(dimethylamino)propyl]-, monohydrochloride (8CI);10H-Pyrido[3,2-b][1,4]benzothiazine-10-propanamine, N,N-dimethyl-,monohydrochloride (9CI); AY 56031; Azacon; D 206; Dominal forte; Dominalhydrochloride; Prothipendyl hydrochloride; Prothipendyl monohydrochloride;Tolnate
Melting Point: 177-178° with sintering ~176°; mp 108-112°
Hazard Symbols: 3
Safety: Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits very toxic fumes of NOx, SOx, and HCl.
PSA: 41.43000
LogP: 1.15470
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Chemistry

Molecule structure of Dominal hydrochloride (CAS NO.1225-65-6):

IUPAC Name: N,N-Dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine hydrochloride 
Molecular Weight: 321.8681 g/mol
Molecular Formula: C16H20ClN3S 
Density: 1.168 g/cm3 
Boiling Point: 430.8 °C at 760 mmHg 
Flash Point: 214.3 °C
Index of Refraction: 1.621
Molar Refractivity: 85.95 cm3
Molar Volume: 244.1 cm3
Polarizability: 34.07×10-24 cm3
Surface Tension: 48.7 dyne/cm 
Enthalpy of Vaporization: 68.63 kJ/mol
Vapour Pressure: 1.26E-07 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Exact Mass: 321.106646
MonoIsotopic Mass: 321.106646
Topological Polar Surface Area: 19.4
Heavy Atom Count: 21
Complexity: 310
Canonical SMILES: CN(C)CCCN1C2=CC=CC=C2SC3=C1N=CC=C3.Cl
InChI: InChI=1S/C16H19N3S.ClH/c1-18(2)11-6-12-19-13-7-3-4-8-14(13)20-15-9-5-10-17-16(15)19;/h3-5,7-10H,6,11-12H2,1-2H3;1H
InChIKey: CQJSAKJMCVSEGU-UHFFFAOYSA-N
EINECS of Dominal hydrochloride (CAS NO.1225-65-6): 214-958-4

Toxicity Data With Reference

1.    

orl-rat LD50:610 mg/kg

     27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,292.
2.    

ipr-rat LD50:115 mg/kg

     27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,292.
3.    

scu-rat LD50:1323 mg/kg

     27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,292.
4.    

ivn-rat LD50:110 mg/kg

     27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,292.

Safety Profile

Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits very toxic fumes of NOx, SOx, and HCl.

Specification

 Dominal hydrochloride (CAS NO.1225-65-6) is also called ((4-Dimethylaminopropylpyrido (3,2b) benzothiazine))
hydrochloride ; 10-(3-Dimethylaminopropyl)-1-azaphenothiazine hydrochloride ; AY-56031 ; Azacon ; Dominal forte ; N,N-Dimethyl-10H-pyrido(3,2-b)(1,4)benzothiazine-10-propanamine, monohydrochloride ; Prothipendyl HCl ; Prothipendyl hydrochloride ; Tolnate ; UNII-7610629RVH .