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

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:

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.

Safety Profile

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