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Basic Information
CAS No.: 3689-50-7
Name: Oxomemazine
Molecular Structure:
Molecular Structure of 3689-50-7 (Oxomemazine)
Formula: C18H22N2O2S
Molecular Weight: 330.451
Synonyms: 10-(3-(Dimethylamino)-2-methylpropyl)phenothiazine-5,5-dioxide;10H-Phenothiazine-10-propanamine, N,N,beta-trimethyl-, 5,5-dioxide;3-(5,5-Dioxido-10H-phenothiazin-10-yl)-N,N,2-trimethyl-1-propanamine;Alimemazine S,S-dioxide;
EINECS: 222-996-8
Density: 1.202 g/cm3
Melting Point: 115°
Boiling Point: 492.4 °C at 760 mmHg
Flash Point: 251.6 °C
Appearance: White crystals powder
PSA: 49.00000
LogP: 4.31440
Synthetic route
(+-)-dimethyl-<γ-phenothiazin-10-yl-isobutyl>-amine

(+-)-dimethyl-<γ-phenothiazin-10-yl-isobutyl>-amine

3689-50-7

oxomemazine

Conditions
ConditionsYield
With dihydrogen peroxide
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Specification

Oxomemazine, with the CAS NO.3689-50-7, has the synonyms of 10-(3-(Dimethylamino)-2-methylpropyl)phenothiazine-5,5-dioxide; 10H-Phenothiazine-10-propanamine, N,N,beta-trimethyl-, 5,5-dioxide; 3-(5,5-Dioxido-10H-phenothiazin-10-yl)-N,N,2-trimethyl-1-propanamine; 6487 RP; 6847 R.P.; Alimemazine S,S-dioxide. Oxomemazine is an antihistamine and anticholinergic of the phenothiazine chemical class used for the treatment of cough.

Physical properties about Oxomemazine are: (1)ACD/LogP: 3.977; (2)ACD/LogD (pH 5.5): 0.96; (3)ACD/LogD (pH 7.4): 2.09; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 8.09; (6)ACD/KOC (pH 5.5): 3.30; (7)ACD/KOC (pH 7.4): 45.26; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.598 ; (11)Molar Refractivity: 93.748 cm3; (12)Molar Volume: 274.936 cm3; (13)Polarizability: 37.165 10-24cm3; (14)Surface Tension: 45.7599983215332 dyne/cm; (15)Density: 1.202 g/cm3; (16)Flash Point: 251.616 °C; (17)Enthalpy of Vaporization: 75.937 kJ/mol; (18)Boiling Point: 492.436 °C at 760 mmHg

You can still convert the following datas into molecular structure:
(1)InChI=1S/C18H22N2O2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)23(21,22)18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3;
(2)InChIKey=QTQPVLDZQVPLGV-UHFFFAOYSA-N;
(3)SmilesCC(CN1c2ccccc2S(=O)(=O)c3c1cccc3)CN(C)C

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 185mg/kg (185mg/kg) BEHAVIORAL: IRRITABILITY

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 57, Pg. 460, 1961.
 
mouse LD50 intravenous 35mg/kg (35mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 364, 1962.
 
mouse LD50 oral 140mg/kg (140mg/kg)   Therapie. Vol. 26, Pg. 1203, 1971.
 
mouse LD50 subcutaneous 260mg/kg (260mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 364, 1962.