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| CAS No.: | 20866-13-1 |
|---|---|
| Name: | 2-methyl-1-(morpholin-4-ylacetyl)-3-phenyl-2,3-dihydroquinazolin-4(1H)-one hydrochloride (1:1) |
| Molecular Structure: | |
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| Formula: | C21H23N3O3•ClH |
| Molecular Weight: | 401.93 |
| Density: | g/cm3 |
| Boiling Point: | 598.4°Cat760mmHg |
| Flash Point: | 315.7°C |
| Safety: | Poison by intravenous route. Moderately toxic by ingestion, intraperitoneal, and subcutaneous routes. When heated to decomposition it emits toxic fumes of NOx and HCl. |
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Chemistry
Molecule structure of HQ-275 (CAS NO.20866-13-1) :
IUPAC Name: 2-methyl-1-(2-morpholin-4-ylacetyl)-3-phenyl-2H-quinazolin-4-one hydrochloride
Molecular Weight: 401.88656 g/mol
Molecular Formula: C21H24ClN3O3
Boiling Point: 598.4 °C at 760 mmHg
Flash Point: 315.7 °C
Enthalpy of Vaporization: 89.11 kJ/mol
Vapour Pressure: 2.8E-14 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 3
Exact Mass: 401.150619
MonoIsotopic Mass: 401.150619
Topological Polar Surface Area: 53.1
Heavy Atom Count: 28
Complexity: 543
Undefined Atom StereoCenter Count: 1
Canonical SMILES: CC1N(C(=O)C2=CC=CC=C2N1C(=O)CN3CCOCC3)C4=CC=CC=C4.Cl
InChI: InChI=1S/C21H23N3O3.ClH/c1-16-23(17-7-3-2-4-8-17)21(26)18-9-5-6-10-19(18)24(16)20(25)15-22-11-13-27-14-12-22;/h2-10,16H,11-15H2,1H3;1H
InChIKey of HQ-275 (CAS NO.20866-13-1) : ZKTOSYAFGHDVAL-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | orl-rat LD50:1708 mg/kg | JJPAAZ Japanese Journal of Pharmacology. 22 (1972),235. | ||
| 2. | ipr-rat LD50:534 mg/kg | JJPAAZ Japanese Journal of Pharmacology. 22 (1972),235. | ||
| 3. | scu-rat LD50:587 mg/kg | JJPAAZ Japanese Journal of Pharmacology. 22 (1972),235. | ||
| 4. | orl-mus LD50:700 mg/kg | JJPAAZ Japanese Journal of Pharmacology. 22 (1972),235. | ||
| 5. | scu-mus LD50:409 mg/kg | JJPAAZ Japanese Journal of Pharmacology. 22 (1972),235. | ||
| 6. | ivn-mus LD50:387 mg/kg | JJPAAZ Japanese Journal of Pharmacology. 22 (1972),235. |
Safety Profile
Poison by intravenous route. Moderately toxic by ingestion, intraperitoneal, and subcutaneous routes. When heated to decomposition it emits toxic fumes of NOx and HCl.
Specification
HQ-275 (CAS NO.20866-13-1) is also called 2,3-Dihydro-2-methyl-1-(morpholinoacetyl)-3-phenyl-4(1H)-quinazolinone hydrochloride ; 4(1H)-Quinazolinone, 2,3-dihydro-2-methyl-1-(morpholinoacetyl)-3-phenyl-, monohydrochloride .