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18921-70-5

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Basic Information
CAS No.: 18921-70-5
Name: Methasquin
Molecular Structure:
Molecular Structure of 18921-70-5 (Methasquin)
Formula: C21H22 N6 O5
Molecular Weight: 438.443
Synonyms: Asparticacid, N-[p-[[(2,4-diamino-5-methyl-6-quinazolinyl)methyl]amino]benzoyl]-, L-(8CI); NSC 122870; SK 29836
Density: 1.3696 (rough estimate)
Melting Point: 270°C (rough estimate)
Boiling Point: 550.3°C (rough estimate)
Safety: Poison by subcutaneous and intraperitoneal routes. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
PSA: 193.55000
LogP: 2.99870
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Chemistry

IUPAC Name: 2-[[4-[(2,4-diamino-5-methylquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid 
Synonyms of N-(4-(((2,4-Diamino-5-methyl-6-quinazo-linyl)methyl)amino)benzoyl)-L-aspartic acid (CAS NO.18921-70-5): BRN 0905365 ; Methasquin ; N-(p-(((2,4-Diamino-5-methyl-6-quinazolinyl)methyl)amino)benzoyl)-L-aspartic acid ; NSC 122870 ; SK 29836 ; Aspartic acid, N-(p-(((2,4-diamino-5-methyl-6-quinazolinyl)methyl)amino) benzoyl)-, L- (8CI) ; Aspartic acid, N-(p-(((2,4-diamino-5-methyl-6-quinazolinyl)methyl)amino)benzoyl)-, L- ; L-Aspartic acid, N-(4-(((2,4-diamino-5-methyl-6-quinazolinyl)methyl)amino) benzoyl)-, (9CI) ; L-Aspartic acid, N-(4-(((2,4-diamino-5-methyl-6-quinazolinyl)methyl)amino)benzoyl)- (9CI)
CAS NO: 18921-70-5 
Molecular Formula of N-(4-(((2,4-Diamino-5-methyl-6-quinazo-linyl)methyl)amino)benzoyl)-L-aspartic acid (CAS NO.18921-70-5): C21H22N6O5
Molecular Weight: 438.4366 
H bond acceptors: 11
H bond donors: 8
Freely Rotating Bonds: 8
Polar Surface Area: 108.41 ?2
Index of Refraction: 1.749
Molar Refractivity: 118.28 cm3
Molar Volume: 290.4 cm3
Surface Tension: 89.3 dyne/cm
Density of N-(4-(((2,4-Diamino-5-methyl-6-quinazo-linyl)methyl)amino)benzoyl)-L-aspartic acid (CAS NO.18921-70-5): 1.509 g/cm3
Molecular Structure:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50110ug/kg (50.11mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse LD50 subcutaneous 158mg/kg (158mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,

Safety Profile

Poison by subcutaneous and intraperitoneal routes. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx.