Molecular Structure of Antimonyl-2,4-dihydroxy-5-hydroxy-methyl pyrimidine (CAS NO. 77824-44-3):
Empirical Formula: C10H10N4O8Sb2
Molecular Weight: 557.776
ACD/LogP: -0.50
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -0.5
ACD/LogD (pH 7.4): -0.53
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 12.78
ACD/KOC (pH 7.4): 11.98
H bond acceptors: 5
H bond donors: 3
Freely Rotating Bonds: 2
Polar Surface Area: 49.85 Å2
Classification Code: Drug / Therapeutic Agent
1. | ipr-mus LD50:660 mg/kg | JEMAAJ Journal of the Egyptian Medical Association. 62 (1979),1. |
Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx and Sb.
OSHA PEL: TWA 0.5 mg(Sb)/m3
ACGIH TLV: TWA 0.5 mg(Sb)/m3
NIOSH REL: 10H TWA 0.5 mg(Sb)/m3
Antimonyl-2,4-dihydroxy-5-hydroxy-methyl pyrimidine , its CAS number is 77824-42-1, it can be called 2,4,10,12-Tetraoxa-6,16,17,18-tetraaza-3,11-distibatricyclo(11.3.1.1(sup 5,9))octadeca-1(17),5,7,9(18),13,15-hexaene-8,14-dimethanol, 3,11-dihydroxy-, tetrahydrate ; Arsacetin tetrahydrate and (4-(Acetylamino)phenyl)arsonic acid sodium salt tetrahydrate .
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