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Name |
Dacemazine |
EINECS | N/A |
CAS No. | 518-61-6 | Density | 1.246 g/cm3 |
PSA | 48.85000 | LogP | 3.44250 |
Solubility | N/A | Melting Point |
144-145° |
Formula | C16H16N2OS | Boiling Point | 484.9 °C at 760 mmHg |
Molecular Weight | 284.382 | Flash Point | 247 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
10H-Phenothiazine,10-[(dimethylamino)acetyl]- (9CI);Phenothiazine, 10-(N,N-dimethylglycyl)-(6CI,7CI,8CI);10-(Dimethylaminoacetyl)phenothiazine;10-(N,N-Dimethylglycyl)phenothiazine;Ahistan;Histantin Richter; |
Article Data | 4 |
The Dacemazine, with the CAS registry number 518-61-6, is also known as Ethanone, 2-(dimethylamino)-1-(10H-phenothiazin-10-yl)-. This chemical's molecular formula is C16H16N2OS and molecular weight is 284.381. What's more, its IUPAC name is 2-(Dimethylamino)-1-phenothiazin-10-ylethanone. This chemical's classification code is Drug / Therapeutic Agent. In addition, Dacemazine is a phenothiazine derivative which acts as an histamine antagonist at the H1 subtype. This chemical was never marketed as a drug on its own, although a combination of Dacemazine and Di-tert-butylnaphthalenesulfonate was sold as an antispasmodic and antitussive under the trade name Codopectyl. It was also assessed as a possible anticancer drug.
Physical properties about Dacemazine are: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.1; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 1.88; (6)ACD/BCF (pH 7.4): 34.45; (7)ACD/KOC (pH 5.5): 22.23; (8)ACD/KOC (pH 7.4): 407.76; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 48.85 Å2; (13)Index of Refraction: 1.648; (14)Molar Refractivity: 83.1 cm3; (15)Molar Volume: 228.1 cm3; (16)Polarizability: 32.94×10-24 cm3; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.246 g/cm3; (19)Flash Point: 247 °C; (20)Enthalpy of Vaporization: 75.03 kJ/mol; (21)Boiling Point: 484.9 °C at 760 mmHg; (22)Vapour Pressure: 1.48E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N1c3c(Sc2c1cccc2)cccc3)CN(C)C
(2) InChI: InChI=1/C16H16N2OS/c1-17(2)11-16(19)18-12-7-3-5-9-14(12)20-15-10-6-4-8-13(15)18/h3-10H,11H2,1-2H3
(3) InChIKey: HKUCYAHWPVLPFN-UHFFFAOYAX
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | subcutaneous | 400mg/kg (400mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 90, Pg. 241, 1952. |