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303-69-5

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Basic Information
CAS No.: 303-69-5
Name: Prothipendyl
Molecular Structure:
Molecular Structure of 303-69-5 (Prothipendyl)
Formula: C16H19 N3 S
Molecular Weight: 285.44
Synonyms: 10H-Pyrido[3,2-b][1,4]benzothiazine,10-[3-(dimethylamino)propyl]- (6CI,8CI); 10-(3-Dimethylaminopropyl)-10H-pyrido[3,2-b][1,4]benzothiazine;2,3-Pyridino-(5',6')-5,6-benzo-4-(3''-dimethylaminopropyl)-1,4-thiazine;Dominal; LG 206; Largophren; MH 05101; Phrenotropin; Prothipendyl; Timoval;Timovan; Tumovan
Density: 1.168g/cm3
Melting Point: 25°C
Boiling Point: 430.8°Cat760mmHg
Flash Point: 214.3°C
Safety: Poison by intravenous, subcutaneous, and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of SOx and NOx.
PSA: 44.67000
LogP: 3.70100
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Chemistry

Molecule structure of Dominal (CAS NO.303-69-5) :

IUPAC Name: N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine 
Molecular Weight: 285.40716 g/mol
Molecular Formula: C16H19N3S 
Density: 1.168 g/cm3 
Melting Point: < 25 °C
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 
log P (octanol-water): 4.010
Atmospheric OH Rate Constant: 1.98E-10 cm3/molecule-sec
XLogP3-AA: 3.4
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Exact Mass: 285.129968
MonoIsotopic Mass: 285.129968
Topological Polar Surface Area: 19.4
Heavy Atom Count: 20
Complexity: 310
Canonical SMILES: CN(C)CCCN1C2=CC=CC=C2SC3=C1N=CC=C3
InChI: InChI=1S/C16H19N3S/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
InChIKey Dominal (CAS NO.303-69-5) : JTTAUPUMOLRVRA-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ivn-rat LD50:25 mg/kg

     THERAP    Therapie. 18 (1963),373.
2.    

orl-mus LD50:415 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),489.
3.    

ipr-mus LD50:155 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),489.
4.    

scu-mus LD50:102 mg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 149 (1964),374.

Safety Profile

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

Specification

 Dominal (CAS NO.303-69-5) is also called 10-(3-Dimethylaminopropyl)-1-azaphenothiazin ; 10-(3-Dimethylaminopropyl)-10H-pyrido(3,2-b)(1,4)benzothiazin ; 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-propanamine, N,N-dimethyl- ; 4-27-00-07169 (Beilstein Handbook Reference) ; AY 56031 ; BRN 0259865 ; D 206 ; Dimethylamino-n-propyl-thiophenylpyridylamine ; Largophren ; MH 05101 ; Prothipendyl ; Prothipendylum [INN-Latin] ; Protipendilo [INN-Spanish] ; Timoval ; Timovan ; Tolnate ; Tumovan ; UNII-5O6VWA87VA .