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Basic Information
CAS No.: 702-54-5
Name: diethadione
Molecular Structure:
Molecular Structure of 702-54-5 (diethadione)
Formula: C8H13 N O3
Molecular Weight: 171.196
Synonyms: 5,5-Diethyl-1,3-oxazin-2,4-dione;5,5-Diethyl-1,3-oxazine-2,4-dione; 5,5-Diethyldihydro-2H-1,3-oxazine-2,4(3H)-dione;Diethadione; Dietroxin; Dioxone; L 1811; Ledosten; NSC 169418; Persisten; Toce;Tocen
Density: 1.069g/cm3
Melting Point: 97-98°
Boiling Point: 301.17°C (rough estimate)
Safety: Poison by ingestion, intravenous, intraperitoneal, subcutaneous, and intramuscular routes. An analeptic (central nervous system stimulant). When heated to decomposition it emits toxic fumes of NOx.
PSA: 55.40000
LogP: 1.38800
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Chemistry

Molecular structure of Diethadion (CAS NO.702-54-5) is:

Product Name: Diethadion
CAS Registry Number: 702-54-5
IUPAC Name: 5,5-diethyl-1,3-oxazinane-2,4-dione
Molecular Weight 171.19372 [g/mol]
Molecular Formula: C8H13NO3
XLogP3-AA: 1.1
H-Bond Donor: 1
H-Bond Acceptor: 3 
EINECS: 211-867-1
Molar Volume: 160.1 cm3
Surface Tension: 30.4 dyne/cm
Density: 1.069 g/cm3 
Classification Code: Drug / Therapeutic Agent

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 45mg/kg (45mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 282, 1970.
mouse LD50 intraperitoneal 49mg/kg (49mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 281, 1970.
mouse LD50 intravenous 32mg/kg (32mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Pharmacy and Pharmacology. Vol. 13, Pg. 244, 1961.
mouse LD50 oral 81mg/kg (81mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 282, 1970.
mouse LD50 subcutaneous 61mg/kg (61mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 281, 1970.
rat LD50 intraperitoneal 32mg/kg (32mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Pharmacy and Pharmacology. Vol. 13, Pg. 244, 1961.
rat LD50 oral 71mg/kg (71mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Pharmacy and Pharmacology. Vol. 13, Pg. 244, 1961.
rat LD50 subcutaneous 39mg/kg (39mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Pharmacy and Pharmacology. Vol. 13, Pg. 244, 1961.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by ingestion, intravenous, intraperitoneal, subcutaneous, and intramuscular routes. An analeptic (central nervous system stimulant). When heated to decomposition it emits toxic fumes of NOx.

Specification

 Diethadion , its cas register number is 702-54-5. It also can be called Diethadione [INN:BAN:DCF] ; 4-27-00-03263 (Beilstein Handbook Reference) ; 5,5-Diethyl-1,3-oxazin-2,4-dione ; 5,5-Diethyl-1,3-oxazine-2,4-dione ; 5,5-Diethyldihydro-2H-1,3-oxazine-2,4(3H)-dione ; 5,5-Dietildiidro-1,3-ossazin-2,4-dione ; 5,5-Dietildiidro-1,3-ossazin-2,4-dione [Italian] ; BRN 0133129 ; Dietadiona ; Dietadiona [INN-Spanish] ; Dietadione ; Dietadione [Italian] ; Diethadione ; Diethadionum ; Diethadionum [INN-Latin] ; Dietroxin ; Dihydro-5,5-diethyl-2H-1,3-oxazine-2,4(3H)-dione ; Diidro-5,5-dietil-2H-1,3-ossazin-2,4(3H)-dione ; Diidro-5,5-dietil-2H-1,3-ossazin-2,4(3H)-dione [Italian] ; Dioxone ; EINECS 211-867-1 ; HSDB 5514 ; L 1811 ; Ledosten ; Lepton ; NSC 169418 ; Persisten ; Toce ; Tocen ; UNII-Z0SPD4Z01X ; 2H-1,3-Oxazine-2,4(3H)-dione, 5,5-diethyldihydro- ; 5,5-Diethyldihydro-2H-1,3-oxazine-2,4(3H)-dione .