IUPAC: 4-Amino-N-(2-methoxyethyl)-7-(2-methoxyethylamino)-2-phenylpteridine-6-carboxamide
4-Amino-N-(2-methoxyethyl)-7-((2-methoxyethyl)amino-2-phenyl)-6-pteridine-carboxamide with CAS No.of 6504-77-4 is also called for 4-Amino-7-(2-methoxyethylamino)-N-(2-methoxyethyl)-2-phenyl-6-pteridine-carboxamide ; BRN 0861724 ; WY 5256 ; 6-Pteridinecarboxamide, 4-amino-N-(2-methoxyethyl)-7-((2-methoxyethyl)amino)-2-phenyl- ; CID230006 and so on.
CAS: 6504-77-4
Molecular Weight: 397.43
Molecular Formula: C19H23N7O3
ACD/LogP: -0.17
ACD/LogD (pH 5.5): -0.17
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 19.24
ACD/KOC (pH 7.4): 19.16
H bond acceptors: 10
H bond donors: 4
Freely Rotating Bonds: 8
Heavy Atom Count: 29
Formal Charge: 0
Complexity: 506
Isotope Atom Count: 0
Defined Atom StereoCenter Count: 0
Undefined Atom StereoCenter Count: 0
Defined Bond StereoCenter Count: 0
Undefined Bond StereoCenter Count: 0
Covalently-Bonded Unit Count: 1
Polar Surface Area: 96.81Å2
Index of Refraction: 1.651
Molar Refractivity: 110.54 cm3
Molar Volume: 302.5 cm3
Surface Tension: 64.4 dyne/cm
Density: 1.313 g/cm3
Flash Point: 309.9 °C
Enthalpy of Vaporization: 87.89 kJ/mol
Boiling Point: 588.8 °C at 760 mmHg
Vapour Pressure: 7.64E-14 mmHg at 25°C
The molecular structure of 4-Amino-N-(2-methoxyethyl)-7-((2-methoxyethyl)amino-2-phenyl)-6-pteridine-carboxamide with CAS No.of 6504-77-4:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | > 5gm/kg (5000mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 164, Pg. 11, 1966. | |
mouse | LD50 | oral | 5010mg/kg (5010mg/kg) | Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971. | |
rat | LD50 | intramuscular | > 5gm/kg (5000mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 164, Pg. 11, 1966. | |
rat | LD50 | oral | 5010mg/kg (5010mg/kg) | Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971. |
Poison by ingestion. When heated to decomposition it emits toxic fumes of NOx.
Removal in wastewater treatment of 4-Amino-N-(2-methoxyethyl)-7-((2-methoxyethyl)amino-2-phenyl)-6-pteridine-carboxamide (CAS No.6504-77-4):
Total removal:1.96 percent
Total biodegradation:0.09 percent
Total sludge adsorption:1.87 percent
Total to air: 0.00 percent
(using 10000 hr Bio P,A,S)
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