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3625-18-1

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Basic Information
CAS No.: 3625-18-1
Name: 5-ethyl-5-(4-methylpent-3-en-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
Molecular Structure:
Molecular Structure of 3625-18-1 (5-ethyl-5-(4-methylpent-3-en-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione)
Formula: C12H18N2O3
Molecular Weight: 238.32
Density: 1.087g/cm3
Safety: Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also BARBITURATES.
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Chemistry

Molecular structure of 5-(1,3-Dimethyl-2-butenyl)-5-ethylbarbituric acid (CAS NO.3625-18-1) is:

Product Name: 5-(1,3-Dimethyl-2-butenyl)-5-ethylbarbituric acid
CAS Registry Number: 3625-18-1
IUPAC Name: 5-ethyl-5-(4-methylpent-3-en-2-yl)-1,3-diazinane-2,4,6-trione
Molecular Weight: 238.28292 [g/mol]
Molecular Formula: C12H18N2O3
XLogP3-AA: 1.9
H-Bond Donor: 2
H-Bond Acceptor: 3
Molar Volume: 219 cm3 
Surface Tension: 34.5 dyne/cm
Density: 1.087 g/cm3 
Classification Code: Drug / Therapeutic Agent

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral 2mg/kg (2mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 177, 1972.
dog LDLo intravenous 250ug/kg (0.25mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 177, 1972.
mouse LD50 intraperitoneal 3500ug/kg (3.5mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Progress in Medical Chemistry. Vol. 8, Pg. 61, 1971.
mouse LD50 oral 18mg/kg (18mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 177, 1972.
rabbit LDLo intravenous 250ug/kg (0.25mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 177, 1972.

Safety Profile

Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also BARBITURATES.

Specification

 5-(1,3-Dimethyl-2-butenyl)-5-ethylbarbituric acid , its cas register number is 3625-18-1. It also can be called McN-481 ; Mcneil 481 ; NSC 42268 ; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1,3-dimethyl-2-butenyl)-5-ethyl- (9CI) ; Barbituric acid, 5-(1,3-dimethyl-2-butenyl)-5-ethyl- .