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Name	Phthalazinol	EINECS	N/A
CAS No.	56611-65-5	Density	1.34g/cm³
PSA	92.28000	LogP	1.20890
Solubility	N/A	Melting Point	174°C
Formula	C14H16 N2 O4	Boiling Point	419.2°C (rough estimate)
Molecular Weight	276.292	Flash Point	N/A
Transport Information	N/A	Appearance	N/A
Safety	Moderately toxic by ingestion and intraperitoneal routes. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NO_x.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	EG 626; NSC305351; Oxagrelate; Phthalazinol; Phthalazinol (phosphodiesterase inhibitor)

Phthalazinol Chemical Properties

Product Name: Phthalazinol
CAS Registry Number: 56611-65-5
Synonyms: 5-25-09-00038 (Beilstein Handbook Reference) ; 7-Ethoxycarbonyl-4-hydroxymethyl-6,8-dimethyl-1(2H)-phthalazinone ; BRN 0811823 ; EG 626 ; Ethyl 1,2-dihydro-4-hydroxymethyl-6,8-dimethyl-1-oxo-7-phthalazinylcarboxylat ; Ethyl 3,4-dihydro-1-(hydroxymethyl)-5,7-dimethyl-4-oxo-6-phthalazinecarboxylate ; Oxagrelate ; Oxagrelato ; Oxagrelato [INN-Spanish] ; Oxagrelatum ; Oxagrelatum [INN-Latin] ; Phthalazinol ; Phthalazinol (phosphodiesterase inhibitor) ; SC 32840 ; UNII-V17MYO89WO ; 6-Phthalazinecarboxylic acid, 3,4-dihydro-1-(hydroxymethyl)-5,7-dimethyl-4-oxo-, ethyl ester
IUPAC Name: ethyl 1-(hydroxymethyl)-5,7-dimethyl-4-oxo-3H-phthalazine-6-carboxylate
Molecular Weight: 276.28784 [g/mol]
Molecular Formula: C₁₄H₁₆N₂O₄
XLogP3-AA: 1.3
H-Bond Donor: 2
H-Bond Acceptor: 5
Canonical SMILES: CCOC(=O)C1=C(C=C2C(=NNC(=O)C2=C1C)CO)C
InChI: InChI=1S/C14H16N2O4/c1-4-20-14(19)11-7(2)5-9-10(6-17)15-16-13(18)12(9)8(11)3/h5,17H,4,6H2,1-3H3,(H,16,18)
InChIKey: DUQOOLBWGUKRAJ-UHFFFAOYSA-N
Surface Tension: 46.5 dyne/cm
Density: 1.34 g/cm³
Following is the molecular structure of Phthalazinol (CAS NO.56611-65-5) is:

Phthalazinol Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	780mg/kg (780mg/kg)	SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA	Kiso to Rinsho. Clinical Report. Vol. 16, Pg. 6247, 1982.
mouse	LD50	oral	1850mg/kg (1850mg/kg)	SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA	Kiso to Rinsho. Clinical Report. Vol. 16, Pg. 6247, 1982.
rabbit	LD50	intraperitoneal	700mg/kg (700mg/kg)	SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Kiso to Rinsho. Clinical Report. Vol. 16, Pg. 6247, 1982.
rabbit	LD50	oral	1020mg/kg (1020mg/kg)	SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Kiso to Rinsho. Clinical Report. Vol. 16, Pg. 6247, 1982.
rat	LD50	intraperitoneal	570mg/kg (570mg/kg)	SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA	Kiso to Rinsho. Clinical Report. Vol. 16, Pg. 6247, 1982.
rat	LD50	oral	1750mg/kg (1750mg/kg)	SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA	Kiso to Rinsho. Clinical Report. Vol. 16, Pg. 6247, 1982.

Phthalazinol Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NO_x.

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