Cas no 26718-20-7 (Piperazinium,1-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-4-(2-hydroxyethyl)-1,4-dimethyl-,iodide (1:2))
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
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- 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
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- 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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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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