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