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8015-18-7

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Basic Information
CAS No.: 8015-18-7
Name: 5,5-diethyl-1,3-diazinane-2,4,6-trione: 4-dimethylamino-1,5-dimethyl-2 -phenyl-pyrazol-3-one
Molecular Structure:
Molecular Structure of 8015-18-7 (5,5-diethyl-1,3-diazinane-2,4,6-trione: 4-dimethylamino-1,5-dimethyl-2 -phenyl-pyrazol-3-one)
Formula: C13H17N3O.C8H12N2O3
Molecular Weight: 415.492
Synonyms: Amidopyrine compd. with barbital (1:1);Sedalon;Veramid;3H-Pyrazol-3-one, 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-, mixt. contg.;5,5-Diethyl-2,4,6(1H,3H,5H)-pyrimidinetrione, mixt. with 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-, mixt. with 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one;Matanol;Pyramon;Cotalmon;Pfetffers substance;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-, mixed with 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one (1:1);Verodon;Veramon;PFETFFER’S SUBSTANCE;2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-diethyl-,mixt. with 4-(dimethylamino)-1,2-dihydro-1,- 5-dimethyl-2-phenyl-3H-pyrazol-3-one;Pfeiffers substance;Grelan;Barbimon;Barbipyrine;
Melting Point: 113-115°
Boiling Point: 319.7 °C at 760 mmHg
Flash Point: 125.9 °C
PSA: 105.44000
LogP: 2.36680
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Specification

The Aminopyrine-barbital, with the CAS registry number 8015-18-7, has the systematic name of 5,5-diethyl-1,3-diazinane-2,4,6-trione;4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one. It is a kind of salt, and the molecular formula of this chemical is C13H17N3O.C8H12N2O3.

The physical properties of Aminopyrine-barbital are as following: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 26.79 Å2; (7)Flash Point: 125.9 °C; (8)Enthalpy of Vaporization: 56.13 kJ/mol; (9)Boiling Point: 319.7 °C at 760 mmHg; (10)Vapour Pressure: 0.000333 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NC(=O)NC(=O)C1(CC)CC.O=C2C(\N(C)C)=C(/N(N2c1ccccc1)C)C
(2)InChI: InChI=1/C13H17N3O.C8H12N2O3/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;1-3-8(4-2)5(11)9-7(13)10-6(8)12/h5-9H,1-4H3;3-4H2,1-2H3,(H2,9,10,11,12,13)
(3)InChIKey: OUTUZEBQXNEVGY-UHFFFAOYAX

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral 1gm/kg (1000mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 9, Pg. 759, 1967.
monkey LDLo oral 1gm/kg (1000mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
mouse LD50 intraperitoneal 450mg/kg (450mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION		 Oyo Yakuri. Pharmacometrics. Vol. 16, Pg. 229, 1978.
mouse LD50 oral 1466mg/kg (1466mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 8, Pg. 453, 1974.
rabbit LDLo oral 1200mg/kg (1200mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
rat LD50 intraperitoneal 476mg/kg (476mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 Oyo Yakuri. Pharmacometrics. Vol. 16, Pg. 229, 1978.
rat LD50 oral 1625mg/kg (1625mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS		 Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989.