Piperaquine[哌喹]

4085-31-8

CAS Name

Quinoline, 4,4′-(1,3-propanediyldi-4,1-piperazinediyl)bis[7-chloro-

Molecular Formula

C₂₉H₃₂Cl₂N₆

Molecular Mass

535.51

Compound Properties

• Melting Point (1)

  198-200 °C

Source(s)

• (1) BE633453, 1963, CAplus

Other Names and Identifiers

InChI

InChI=1S/C29H32Cl2N6/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/h2-9,20-21H,1,10-19H2

InChIKey

InChIKey=UCRHFBCYFMIWHC-UHFFFAOYSA-N

SMILES

ClC1=CC2=C(C(=CC=N2)N3CCN(CCCN4CCN(CC4)C=5C6=C(C=C(Cl)C=C6)N=CC5)CC3)C=C1

Canonical SMILES

ClC=1C=CC=2C(=NC=CC2N3CCN(CC3)CCCN4CCN(C=5C=CN=C6C=C(Cl)C=CC65)CC4)C1

Other Names for this Substance

Deleted or Replaced CAS Registry Numbers

83764-65-2