Cas no 26718-20-7 (Piperazinium,1-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-4-(2-hydroxyethyl)-1,4-dimethyl-,iodide (1:2))

Piperazinium,1-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-4-(2-hydroxyethyl)-1,4-dimethyl-,iodide (1:2) structure
26718-20-7 structure
Product Name:Piperazinium,1-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-4-(2-hydroxyethyl)-1,4-dimethyl-,iodide (1:2)
CAS No:26718-20-7
MF:C23H32ClI2N3OS
MW:687.846628189087
CID:270498
PubChem ID:213548
Update Time:2025-04-19

Piperazinium,1-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-4-(2-hydroxyethyl)-1,4-dimethyl-,iodide (1:2) Chemical and Physical Properties

Names and Identifiers

    • Piperazinium,1-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-4-(2-hydroxyethyl)-1,4-dimethyl-,iodide (1:2)
    • 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]-1,4-dimethylpiperazine-1,4-diium-1-yl]ethanol,iodide
    • 1-[3-(2-amino-ethyl)-indol-5-yloxy]-3-methoxy-propan-2-ol
    • 1-[3-(2-chloro-phenothiazin-10-yl)-propyl]-4-(2-hydroxy-ethyl)-1,4-dimethyl-piperazinediium, diiodide
    • 2-Propanol, 1-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-3-methoxy-
    • ACMC-20lvg1
    • CTK3G2559
    • Piperazinium, 1-(3-(2-chloro-10H-phenothiazin-10-yl)propyl)-4-(2-hydroxyethyl)-1,4-dimethyl-, diiodide
    • NSC 115180
    • Perphenazine dimethiodide
    • Piperazinium, 1-(3-(2-chlorophenothiazin-10-yl)propyl)-1,4-dimethyl-4-(2-hydroxyethyl)-, diiodide
    • 1-(3-(2-Chlorophenothiazin-10-yl)propyl)-1,4-dimethyl-4-(2-hydroxyethyl)piperazinium 2I
    • 26718-20-7
    • 1-(3-(2-Chloro-10H-phenothiazin-10-yl)propyl)-4-(2-hydroxyethyl)-1,4-dimethylpiperazinium diiodide
    • Inchi: 1S/C23H32ClN3OS.2HI/c1-26(12-14-27(2,15-13-26)16-17-28)11-5-10-25-20-6-3-4-7-22(20)29-23-9-8-19(24)18-21(23)25;;/h3-4,6-9,18,28H,5,10-17H2,1-2H3;2*1H/q+2;;/p-2
    • InChI Key: GPPWBKQGKIZJKP-UHFFFAOYSA-L
    • SMILES: [I-].[I-].ClC1C=CC2=C(C=1)N(C1C=CC=CC=1S2)CCC[N+]1(C)CC[N+](C)(CCO)CC1

Computed Properties

  • Exact Mass: 654.7532
  • Monoisotopic Mass: 687.00441g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 6
  • Complexity: 542
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 48.8?2

Experimental Properties

  • PSA: 23.14
  • LogP: 1.21850

Piperazinium,1-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-4-(2-hydroxyethyl)-1,4-dimethyl-,iodide (1:2) Related Literature

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