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Basic Information
CAS No.: 85547-56-4
Name: 4,4'-(1,3-Propanediyldi-4,1-piperazinediyl)bis(7-chloroquinoline) phosphate
Molecular Structure:
Molecular Structure of 85547-56-4 (4,4'-(1,3-Propanediyldi-4,1-piperazinediyl)bis(7-chloroquinoline) phosphate)
Formula: C29H32Cl2N6.H3PO4
Molecular Weight: 927.5
Synonyms: Piperaquine phosphate;
EINECS: 1312995-182-4
Boiling Point: 721.1 °C at 760 mmHg
Flash Point: 389.9 °C
PSA: 126.31000
LogP: 4.50130
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  • Top quality 99% Piperaquine phosphate manufacturer

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    85547-56-4

    Top quality 99% Piperaquine phosphate manufacturer

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0

    Description Product name Piperaquine phosphate CAS NO. 4085-31-8 Synonyms Piperaquine phosphate Category Ph

    Shaanxi Mingqi Chemical Co., Ltd is committed to the development of import and export trade in the production, operation and plant extracts of pharmaceutical raw materials and inte

  • Shaanxi Mingqi Chemical Co., Ltd

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+8618092428356

    Address:Weiyang District

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  • Piperaquine Phosphate anti-malarial drugs

  • Casno:

    85547-56-4

    Piperaquine Phosphate anti-malarial drugs

    Min.Order: 10 Kilogram

    FOB Price:  USD $ 0.0-0.0

    Our Advantage: high quality with competitive price High quality standard: BP/USP/EP Enterprise standard All purity customized Fast and safe delivery We have reliable forwarder who can help us deliver our goods more fast and safe. We

    Wuhan Han Sheng New Material Technology Co. Ltd is a professional company which specialized in manufacturing and selling chemical raw materials, chemical products, pharmaceutical i

  • Wuhan Han Sheng New Material Technology Co.,Ltd

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:17798174412

    Address:Room 401, Floor 4, Building 3-1, Guandong Science and Technology Industrial Park, Jiayuan Road, Guandong Street, Donghu Hi tech Development Zone, Wuhan

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Specification

The 4,4'-(1,3-Propanediyldi-4,1-piperazinediyl)bis(7-chloroquinoline) phosphate, with the CAS registry number 85547-56-4, is also known as Piperaquine phosphate. This chemical's molecular formula is C29H32Cl2N6·H3PO4 and molecular weight is 633.51. What's more, its IUPAC name is called 7-Chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl] piperazin-1-yl]quinoline; phosphoric acid.

Physical properties about 4,4'-(1,3-Propanediyldi-4,1-piperazinediyl)bis(7-chloroquinoline) phosphate are: (1) ACD/LogP: 5.15; (2) # of Rule of 5 Violations: 2; (3) #H bond acceptors: 6; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 6; (6) Polar Surface Area: 38.74 Å2; (7) Flash Point: 389.9 °C; (8) Enthalpy of Vaporization: 105.34 kJ/mol; (9) Boiling Point: 721.1 °C at 760 mmHg; (10) Vapour Pressure: 1.21E-20 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=P(O)(O)O.Clc6ccc1c(nccc1N5CCN(CCCN4CCN(c2c3ccc(Cl)cc3ncc2)CC4)CC5)c6
(2) InChI: InChI=1/C29H32Cl2N6.H3O4P/c30-22-2-4-24-26(20-22)32-8-6-28(24)36-16-12-34(13-17-36)10-1-11-35-14-18-37(19-15-35)29-7-9-33-27-21-23(31)3-5-25(27)29;1-5(2,3)4/h2-9,20-21H,1,10-19H2;(H3,1,2,3,4)
(3) InChIKey: KATNPMSTHHZOTK-UHFFFAOYAL