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Cas Database |
| Name |
Apafant |
EINECS | N/A |
| CAS No. | 105219-56-5 | Density | 1.48 |
| PSA | 100.85000 | LogP | 2.80650 |
| Solubility | N/A | Melting Point |
186-188°C |
| Formula | C22H22 Cl N5 O2 S | Boiling Point | 720.2°Cat760mmHg |
| Molecular Weight | 455.968 | Flash Point | 389.4°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Morpholine,4-[3-[4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-oxopropyl]-(9CI); 6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine, morpholine deriv.;Apafant; WEB 2086BS; Web 2086 |
Article Data | 3 |
Apafant Chemical Properties
Molecular Structure of Apafant (CAS No.105219-56-5):
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Molecular Formula: C22H22ClN5O2S
Molecular Weight: 455.9604
CAS No: 105219-56-5
H bond acceptors: 7
H bond donors: 0
Freely Rotating Bonds: 4
Polar Surface Area: 100.85 Å2
Index of Refraction: 1.733
Molar Refractivity: 122.73 cm3
Molar Volume: 306.3 cm3
Surface Tension: 60.1 dyne/cm
Density: 1.48 g/cm3
Flash Point: 389.4 °C
Enthalpy of Vaporization: 105.22 kJ/mol
Boiling Point: 720.2 °C at 760 mmHg
Vapour Pressure: 1.36E-20 mmHg at 25°C
Classification Code: Cardiovascular Agents;Drug / Therapeutic Agent;Fibrin Modulating Agents;Fibrinolytic agents;Hematologic Agents;Platelet activating factor antagonist;Platelet aggregation inhibitors;Reproductive Effect
Systematic Name: 3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(morpholin-4-yl)propan-1-one
InChI: InChI=1/C22H22ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3
InChIKey: JGPJQFOROWSRRS-UHFFFAOYAU
Std. InChI: InChI=1S/C22H22ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3
Std. InChIKey: JGPJQFOROWSRRS-UHFFFAOYSA-N
Product Categories: Intermediates Fine Chemicals;Pharmaceuticals;Sulfur Selenium Compounds;PAF receptor
Apafant Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 400mg/kg (400mg/kg) | United States Patent Document. Vol. #4968794, | |
| mouse | LD50 | oral | 3gm/kg (3000mg/kg) | United States Patent Document. Vol. #4968794, |
Apafant Specification
Apafant (CAS No.105219-56-5), its synonyms are 4-(3-(4-(o-Chlorophenyl)-9-methyl-6H-thieno(3,2-f)-s- ; Triazolo(4,3-a)(1,4)diazepin-2-yl)propionyl)morpholine ; 3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(4-morpholinyl)-1-propanone .
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