-
Name
Metiapine
- EINECS
- CAS No. 5800-19-1
- Density 1.22g/cm3
- Solubility
- Melting Point 103°C
- Formula C19H21 N3 S
- Boiling Point 473.6°Cat760mmHg
- Molecular Weight 323.462
- Flash Point 240.2°C
- Transport Information
- Appearance
- 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.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2-Methyl-11-(4-methyl-1-piperazinyl)-dibenzo[b,f][1,4]thiazepine;Metiapine
- PSA 44.14000
- LogP 3.09670
Metiapine Chemical Properties
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
Metiapine 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. |
Metiapine 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.
Metiapine 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 .
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