Name: DIOXOPROMETHAZINE HCL
SKU: 13754-56-8

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Basic Information

Molecular Structure:
CAS No.:	13754-56-8
Name:	DIOXOPROMETHAZINE HCL
Article Data:	10

Formula:	C₁₇H₂₀N₂O₂S
Molecular Weight:	352.885
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;
EINECS:	1308068-626-2
Density:	1.224 g/cm³
Melting Point:	127-129 °C
Boiling Point:	478.451 °C at 760 mmHg
Flash Point:	243.159 °C
Appearance:	white powder
PSA:	49.00000
LogP:	4.06680

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Chemistry

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)	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 NO_x, SO_x, 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 .