Basic Information | Post buying leads | Suppliers |
Name |
Prochlorperazine methanesulfonate |
EINECS | 257-495-3 |
CAS No. | 51888-09-6 | Density | N/A |
PSA | 160.52000 | LogP | 5.69060 |
Solubility | N/A | Melting Point |
238-240°C |
Formula | C22H32ClN3O6S3 | Boiling Point | 524.8 °C at 760 mmHg |
Molecular Weight | 566.15 | Flash Point | 271.2 °C |
Transport Information | N/A | Appearance | Off-White Solid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine methanesulfonate (1:2);10H-Phenothiazine, 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-, methanesulfonate (1:2); |
The Prochlorperazine methanesulfonate, with the CAS registry number 51888-09-6, is also known as 10H-Phenothiazine, 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-, methanesulfonate (1:2). It belongs to the product categories of Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS number is 257-495-3. This chemical's molecular formula is C22H32ClN3O6S3 and molecular weight is 566.15. What's more, its IUPAC name is 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine; methanesulfonic acid.
Physical properties of Prochlorperazine methanesulfonate are: (1)ACD/LogP: 4.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 3.88; (5)ACD/BCF (pH 5.5): 6.71; (6)ACD/BCF (pH 7.4): 347.44; (7)ACD/KOC (pH 5.5): 27.46; (8)ACD/KOC (pH 7.4): 1421.62; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.02 Å2; (13)Flash Point: 271.2 °C; (14)Enthalpy of Vaporization: 79.88 kJ/mol; (15)Boiling Point: 524.8 °C at 760 mmHg; (16)Vapour Pressure: 4.15E-11 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.Clc2cc1N(c3c(Sc1cc2)cccc3)CCCN4CCN(C)CC4
(2)Std. InChI: InChI=1S/C20H24ClN3S.2CH4O3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24;2*1-5(2,3)4/h2-3,5-8,15H,4,9-14H2,1H3;2*1H3,(H,2,3,4)
(3)Std. InChIKey: BTOOUKJFDLARFG-UHFFFAOYSA-N