Basic information
- Name:
Dioxopromethazine hydrochloride
- Superlist Name:
- Prothanon
- CAS No.:
13754-56-8
- Molecular Structure:
- Formula:
- C17H20N2O2S
- Molecular Weight:
- 316.42
- Synonyms:
- Phenothiazine,10-[2-(dimethylamino)propyl]-, 5,5-dioxide (8CI);9,9-Dioxopromethazine;9,9-Dioxypromethazin;Promethazine 5,5-dioxide;10H-Phenothiazine-10-ethanamine,N,N,a-trimethyl-, 5,5-dioxide;
- Density:
- 1.224 g/cm3
- Melting Point:
- 127-129 °C
- Boiling Point:
- 478.451 °C at 760 mmHg
- Flash Point:
- 243.159 °C
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Chemistry
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IUPAC Name: 1-(5,5-Dioxophenothiazin-10-yl)-N,N-dimethylpropan-2-amine
Canonical SMILES: CC(CN1C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C31)N(C)C
InChI: InChI=1S/C17H20N2O2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)22(20,
21)17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
InChIKey: FDXKCOBAFGSMDJ-UHFFFAOYSA-N
Molecular Weight: 316.4179 [g/mol]
Molecular Formula: C17H20N2O2S
XLogP3: 3.5
H-Bond Donor: 0
H-Bond Acceptor: 4
Index of Refraction: 1.605
Molar Refractivity: 89.11 cm3
Molar Volume: 258.4 cm3
Surface Tension: 46.5 dyne/cm
Density: 1.224 g/cm3
Flash Point: 243.2 °C
Enthalpy of Vaporization: 74.26 kJ/mol
Boiling Point: 478.5 °C at 760 mmHg
Vapour Pressure of Dioxopromethazine hydrochloride (CAS NO.13754-56-8): 2.57E-09 mmHg at 25 °C
Uses
Dioxopromethazine hydrochloride (CAS NO.13754-56-8) is used in chemical reagents, organic intermediates, fine chemicals, pharmaceutical research and development.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | intravenous | 8mg/kg (8mg/kg) | Pharmazie. Vol. 25, Pg. 91, 1970. | |
| guinea pig | LD50 | oral | 225mg/kg (225mg/kg) | Pharmazie. Vol. 25, Pg. 91, 1970. | |
| guinea pig | LD50 | subcutaneous | 33mg/kg (33mg/kg) | Pharmazie. Vol. 25, Pg. 91, 1970. | |
| mouse | LD50 | intraperitoneal | 49mg/kg (49mg/kg) | Pharmazie. Vol. 25, Pg. 91, 1970. | |
| mouse | LD50 | intravenous | 16mg/kg (16mg/kg) | Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 18, Pg. 155, 1983. | |
| mouse | LD50 | oral | 50mg/kg (50mg/kg) | Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 18, Pg. 155, 1983. | |
| mouse | LD50 | subcutaneous | 96mg/kg (96mg/kg) | Pharmazie. Vol. 25, Pg. 91, 1970. | |
| rabbit | LD50 | oral | 165mg/kg (165mg/kg) | Pharmazie. Vol. 25, Pg. 91, 1970. |
Safety Profile
Poison by ingestion, intraperitoneal, intravenous, and subcutaneous routes. When heated to decomposition it emits very toxic fumes of NOx, SOx, and HCl.
Specification
Dioxopromethazine hydrochloride (CAS NO.13754-56-8), its Synonyms are 5,5-Dioxo-10-(2-(dimethylamino)propyl)phenothiazine hydrochloride ; 9,9-Dioxo-10-(2-dimethylaminopropyl)-phenothiazinhydrochlorid ; 9,9-Dioxopromethazine ; 9,9-Dioxypromethazin ; Dioxopromethazin ; Dioxoprothazin ; Promethazine 5,5-dioxide ; Promethazine SS oxide ; Prothanon ; 10H-Phenothiazine-10-ethanamine, N,N,alpha-trimethyl-, 5,5-dioxide (9CI) ; 10H-Phenothiazine-10-ethanamine,N,N,alpha-trimethyl-,5,5-dioxide ; Phenothiazine, 10-(2-(dimethylamino)propyl)-, 5,5-dioxide, monohydrochloride ; Phenothizine, 10-(2-(dimethylamino)propyl)-, 5,5-dioxide (8CI) ; Dioxopromethazine .