Thioproperazine dimesylate supplier

Name
Thioproperazine dimesylate
EINECS 219-074-2
CAS No. 2347-80-0
Density
Solubility
Melting Point 218-222°C
Formula C₂₂H₃₀N₄O₂S₂^.2(CH₄O₃S)
Boiling Point 612.2 °C at 760 mmHg
Molecular Weight 638.84
Flash Point 324 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xn
Synonyms Thioproperazine dimethanesulfonate;
PSA 206.28000
LogP 5.36830

Thioproperazine dimesylate Specification

The Thioproperazine dimesylate, with the CAS registry number of 2347-80-0, is also known as Thioproperazine dimethanesulfonate. It belongs to the product category of Organics. Its EINECS registry number is 219-074-2. This chemical's molecular formula is C₂₂H₃₀N₄O₂S₂.2CH₄O₃S and molecular weight is 638.85. What's more, its IUPAC name is N,N-Dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-. This chemical's classification codes are Drug / Therapeutic Agent; Mutation data.

Physical properties about the Thioproperazine dimesylate are: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.69; (4)ACD/LogD (pH 7.4): 2.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 25.67; (7)ACD/KOC (pH 5.5): 4.17; (8)ACD/KOC (pH 7.4): 214.79; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 80.78 Å²; (13)Flash Point: 324 °C; (14)Enthalpy of Vaporization: 90.88 kJ/mol; (15)Boiling Point: 612.2 °C at 760 mmHg; (16)Vapour Pressure: 6.32E-15 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:O=S(=O)(O)C.O=S(=O)(O)C.O=S(=O)(N(C)C)c2cc1N(c3c(Sc1cc2)cccc3)CCCN4CCN(C)CC4
(2) InChI:InChI=1/C22H30N4O2S2.2CH4O3S/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25;2*1-5(2,3)4/h4-5,7-10,17H,6,11-16H2,1-3H3;2*1H3,(H,2,3,4)
(3) InChIKey:QPMDKXBBAVQDCB-UHFFFAOYAR7

The toxicity data is as follows：

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	115mg/kg (115mg/kg)	Psychopharmacologia Vol. 12, Pg. 142, 1968. Link to PubMed
mouse	LD50	intravenous	70mg/kg (70mg/kg)	"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 52, 1972.
mouse	LD50	oral	800mg/kg (800mg/kg)	Drugs in Japan Vol. 6, Pg. 456, 1982.
mouse	LD50	subcutaneous	500mg/kg (500mg/kg)	"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 52, 1972.
rat	LD50	intraperitoneal	59mg/kg (59mg/kg)	Psychopharmacologia Vol. 12, Pg. 142, 1968. Link to PubMed
rat	LD50	intravenous	45mg/kg (45mg/kg)	"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 52, 1972.
rat	LD50	oral	750mg/kg (750mg/kg)	"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 52, 1972.
rat	LD50	subcutaneous	1250mg/kg (1250mg/kg)	"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 52, 1972.

Product Name

Thioproperazine dimesylate

Thioproperazine dimesylate Specification

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