-
Name
POLYTHIAZIDE (200 MG)
- EINECS
- CAS No. 346-18-9
- Density 1.598g/cm3
- Solubility
- Melting Point 202.5°
- Formula C11H13 Cl F3 N3 O4 S3
- Boiling Point 580.1°Cat760mmHg
- Molecular Weight 439.888
- Flash Point 304.7°C
- Transport Information
- Appearance
- Safety Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of Cl−, SOx, F−, and NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms (?à)-Nephril; (?à)-Polythiazide; 2-Methyl-3-(b,b,b-trifluoroethylthiomethyl)-6-chloro-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide;6-Chloro-3,4-dihydro-2-methyl-3-[[2,2,2-trifluoroethyl)thio]methyl]-2H-1,2,4-benzothiadiazine-7-sulfonamide1,1-dioxide; 6-Chloro-3,4-dihydro-2-methyl-7-sulfamoyl-3-(2,2,2-trifluoroethylthiomethyl)-2H-1,2,4-benzothiadiazine1,1-dioxide; Drenusil; NSC 108161; Nephril; P 2525; Polythiazide; Renese
- PSA 151.63000
- LogP 4.59280
Polythiazide Chemical Properties
Product Name: Polythiazide (CAS NO.346-18-9)
Molecular Formula: C11H13ClF3N3O4S3
Molecular Weight: 439.8818296g/mol
Mol File: 346-18-9.mol
Einecs: 206-468-4
Appearance: Crystals or white powder
Boiling point: 580.1 °C at 760 mmHg
Flash Point: 304.7 °C
Density: 1.598 g/cm3
Surface Tension: 48.3 dyne/cm
Enthalpy of Vaporization: 86.79 kJ/mol
Vapour Pressure: 1.88E-13 mmHg at 25°C
XLogP3-AA: 2.6
H-Bond Donor: 2
H-Bond Acceptor: 10
Structure Descriptors of Polythiazide (CAS NO.346-18-9):
IUPAC Name: 6-chloro-2-methyl-1,1-dioxo-3-(2,2,2-trifluoroethylsulfanylmethyl)-3,4-dihydrobenzo[e][1,2,4]thiadiazine-7-sulfonamide
Canonical SMILES: CN1C(NC2=CC(=C(C=C2S1(=O)=O)S(=O)(=O)N)Cl)CSCC(F)(F)F
InChI: InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20)
InChIKey: CYLWJCABXYDINA-UHFFFAOYSA-N
Polythiazide Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | oral | 450mg/kg (450mg/kg) | "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969Vol. -, Pg. 97, 1969. | |
| mouse | LD50 | intraperitoneal | > 5gm/kg (5000mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 21, Pg. 775, 1979. | |
| mouse | LD50 | oral | > 5gm/kg (5000mg/kg) | Drugs in Japan Vol. 6, Pg. 793, 1982. | |
| rat | LD50 | intraperitoneal | 400mg/kg (400mg/kg) | "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969Vol. -, Pg. 97, 1969. | |
| rat | LD50 | oral | > 10mg/kg (10mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 21, Pg. 775, 1979. | |
| women | LDLo | oral | 300ug/kg/5D-I (0.3mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: COMA | American Journal of Medicine. Vol. 70, Pg. 1163, 1981. |
Polythiazide Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of Cl−, SOx, F−, and NOx.
Polythiazide Specification
Polythiazide ,its CAS NO. is 346-18-9,the synonyms is 2-Methyl-3-(beta,beta,beta-trifluoroethylthiomethyl)-6-chloro-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine 1,1-dioxide ; 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-2-methyl-3-(((2,2,2-trifluoroethyl)thio)methyl)-, 1,1-dioxide ; 6-Chloro-3,4-dihydro-2-methyl-3-(((2,2,2-trifluoroethyl)thio)methyl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide ; 6-Chloro-3,4-dihydro-2-methyl-7-sulphamoyl-3-(2,2,2-trifluoroethylthiomethyl)-2H-benzo-1,2,4-thiadiazine 1,1-dioxide ; BRN 0770371 ; CCRIS 6094 ; Drenusil ; EINECS 206-468-4 ; HSDB 850 ; NSC 108161 ; Nephril ; Renese ; UNII-36780APV5N .
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