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| CAS No.: | 5800-19-1 |
|---|---|
| Name: | Metiapine |
| Molecular Structure: | |
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|
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| Formula: | C19H21 N3 S |
| Molecular Weight: | 323.462 |
| Synonyms: | 2-Methyl-11-(4-methyl-1-piperazinyl)-dibenzo[b,f][1,4]thiazepine;Metiapine |
| Density: | 1.22g/cm3 |
| Melting Point: | 103°C |
| Boiling Point: | 473.6°Cat760mmHg |
| Flash Point: | 240.2°C |
| Safety: | Poison by intraperitoneal route. Moderately toxic by ingestion. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits very toxic fumes of NOx and SOx. |
| PSA: | 44.14000 |
| LogP: | 3.09670 |
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Chemistry
Product Name: Metiapine (CAS NO.5800-19-1)
Molecular Formula: C19H21N3S
Molecular Weight: 323.4551g/mol
Mol File: 5800-19-1.mol
Boiling point: 473.6 °C at 760 mmHg
Flash Point: 240.2 °C
Density: 1.22 g/cm3
Surface Tension: 47.3 dyne/cm
Enthalpy of Vaporization: 73.68 kJ/mol
Vapour Pressure: 3.87E-09 mmHg at 25°C
XLogP3-AA: 3.3
H-Bond Donor: 0
H-Bond Acceptor: 3
Structure Descriptors of Metiapine (CAS NO.5800-19-1):
IUPAC Name: 8-methyl-6-(4-methylpiperazin-1-yl)benzo[b][1,5]benzothiazepine
Canonical SMILES: CC1=CC2=C(C=C1)SC3=CC=CC=C3N=C2N4CCN(CC4)C
InChI: InChI=1S/C19H21N3S/c1-14-7-8-17-15(13-14)19(22-11-9-21(2)10-12-22)20-16-5-3-4-6-18(16)23-17/h3-8,13H,9-12H2,1-2H3
InChIKey: IOEPXYJOHIZYGQ-UHFFFAOYSA-N
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 320mg/kg (320mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Toxicology and Applied Pharmacology. Vol. 25, Pg. 220, 1973. |
| mouse | LD50 | oral | 680mg/kg (680mg/kg) | Toxicology and Applied Pharmacology. Vol. 22, Pg. 334, 1972. | |
| rat | LD50 | intraperitoneal | 487mg/kg (487mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Toxicology and Applied Pharmacology. Vol. 25, Pg. 220, 1973. |
| rat | LD50 | oral | 934mg/kg (934mg/kg) | Toxicology and Applied Pharmacology. Vol. 22, Pg. 334, 1972. |
Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits very toxic fumes of NOx and SOx.
Specification
Metiapine ,its CAS NO. is 5800-19-1,the synonyms is 2-Methyl-11-(4-methyl-1-piperazinyl)dibenzo(b,f)(1,4)thiazepine ; BRN 0833849 ; Dibenzo(b,f)(1,4)thiazepine, 2-methyl-11-(4-methyl-1-piperazinyl)- ; Metiapinum ; UNII-775D6D91J8 .