4-Chloro-10-(3-chloropropyl)-10H-phenothiazine - CAS 859970-31-3
Catalog: |
BB070082 |
Product Name: |
4-Chloro-10-(3-chloropropyl)-10H-phenothiazine |
CAS: |
859970-31-3 |
Synonyms: |
4-Chloro-10-(3-chloropropylphenothiazine |
IUPAC Name: | 4-chloro-10-(3-chloropropyl)phenothiazine |
Description: | 4-Chloro-10-(3-chloropropyl)-10H-phenothiazine is an intermediate in the synthesis of Perphenazine (P291100) related compounds, an D2 dopamine receptor antagonist. |
Molecular Weight: | 310.24 |
Molecular Formula: | C15H13Cl2NS |
Canonical SMILES: | C1=CC=C2C(=C1)N(C3=C(S2)C(=CC=C3)Cl)CCCCl |
InChI: | InChI=1S/C15H13Cl2NS/c16-9-4-10-18-12-6-1-2-8-14(12)19-15-11(17)5-3-7-13(15)18/h1-3,5-8H,4,9-10H2 |
InChI Key: | NVYOJFATLGJYMC-UHFFFAOYSA-N |
Solubility: | Ethyl Acetate, Methanol |
Appearance: | White Solid |
References: | Briggs, K., et al. Toxicology, 231, 113 (2007), Toga, T., et al. J. Pharmacol. Sci., 105, 207 (2007),. |
Complexity: | 302 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 309.014576 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 309.014576 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 28.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.3 |
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