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| CAS No.: | 437-74-1 |
|---|---|
| Name: | Xanthinol nicotinate |
| Molecular Structure: | |
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| Formula: | C13H21N5O4•C6H5NO2 |
| Molecular Weight: | 434.452 |
| Synonyms: | Landrina 300;Complamex;Complamin;7-[2-hydroxy-3-(2-hydroxyethyl-methyl-amino)propyl]-1,3-dimethyl-purine-2,6-dione; pyridine-3-carboxylic acid;3-Pyridinecarboxylic acid, compd. with 3, 7-dihydro-7-[2-hydroxy-3-[ (2-hydroxyethyl)methylamino]propyl]-1, 3-dimethyl-1H-purine-2,6-dione (1:1);Nicotinato de xantinol [INN-Spanish];SK 331A;Complamin retard;Stenalgil;Sadamine;Methoxylin, compd. with nicotinic acid;Vedrin;Xanthinol niacinate [USAN];Sadamin;Xantinoli nicotinas [INN-Latin]; |
| EINECS: | 207-115-7 |
| Melting Point: | 180-184oC |
| Boiling Point: | 589.3 °C at 760 mmHg |
| Flash Point: | 310.2 °C |
| Appearance: | White crystal or white crystal powder |
| PSA: | 155.71000 |
| LogP: | -1.50150 |
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Specification
The xanthinol nicotinate , with the CAS register number 437-74-1, has the systematic name of pyridine-3-carboxylic acid - 7-{2-hydroxy-3-[(2-hydroxyethyl)(methyl)amino]propyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (1:1) , and it has other names as 7-[2-hydroxy-3-(2-hydroxyethyl-methyl-amino)propyl]-1,3-dimethyl-purine-2,6-dione pyridine-3-carboxylic acid ; XANTINOL NICOTINATE ; XANTHINOL NICOTINATE ; 7-(2-hydroxy-3-((2-hydroxyethyl)methylamino)propyl)theophyllinecompd.withn ; 7-(3-(n-(2-hydroxyethyl)amino)-2-hydroxypropyl)thiophyllinenicotinate ; 7-[3-[(2-Hydroxyethyl)methylamino]-2-hydroxypropyl]theophyllinenicotinate ; amino)propyl)-1,3-dimethyl-1h-purine-2,6-dione ; angiomin .
The physical properties of this chemcial are as followings: (1)ACD/LogP: -0.20 ; (2)ACD/LogD (pH 5.5): -2.78 ; (3)ACD/LogD (pH 7.4): -1.09 ; (4)ACD/BCF (pH 5.5): 1 ; (5)ACD/BCF (pH 7.4): 1 ; (6)ACD/KOC (pH 5.5): 1 ; (7)ACD/KOC (pH 7.4): 2.41 ; (8)#H bond acceptors: 9 ; (9)#H bond donors: 2 ; (10)#Freely Rotating Bonds: 8 ; (11)Polar Surface Area: 80.14 ; (12)Flash Point: 310.2 °C ; (13)Enthalpy of Vaporization: 92.5 kJ/mol ; (14)Boiling Point: 589.3 °C at 760 mmHg ; (15)Vapour Pressure: 9.89E-15 mmHg at 25°C .
This is a kind of white crystalline powder and is soluble in water and acetic acid glacial , slightly soluble in the chloroform and anhydrous ethanol. As for its usage, it is usually used in Ischemic Cerebrovascular Disease, and sequel of apoplexy, such as cerebral thrombosis. Besides, it could be made vasodilator in many diseases, such as minimal brain dysfunction. If you need more safety information, you could refer to WGK Germany 2.
Below are the toxicity information of this chemical:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mammal (species unspecified) | LD50 | intravenous | 900mg/kg (900mg/kg) | Pharmaceutical Chemistry Journal Vol. 20, Pg. 286, 1986. | |
| mouse | LD50 | intravenous | 673mg/kg (673mg/kg) | Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 21, Pg. 291, 1986. | |
| mouse | LD50 | oral | 17350mg/kg (17350mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 601, 1975. | |
| mouse | LD50 | subcutaneous | 4260mg/kg (4260mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 601, 1975. | |
| rabbit | LD50 | intravenous | 500mg/kg (500mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 601, 1975. | |
| rat | LD50 | intraperitoneal | 3010mg/kg (3010mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 15, Pg. 424, 1968. |
| rat | LD50 | intravenous | 690mg/kg (690mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 601, 1975. | |
| rat | LD50 | oral | 14130mg/kg (14130mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 601, 1975. | |
| rat | LD50 | subcutaneous | 4061mg/kg (4061mg/kg) | Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 15, Pg. 424, 1968. |