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Home> Hot Product Listed P   > PC31317
64-89-1 structure

PC31317

Iupac Name:1-[10-[1-(dimethylamino)propan-2-yl]phenothiazin-3-yl]propan-1-one;hydrochloride
CAS No.:64-89-1
Molecular Weight:376.943
Molecular Formula:C7H2CLF3O (isomer)
Names and Identifiers
Synonyms

mfcd00113944 ZINC2158661 zx-ap012708

Inchi
InChI=1S/C20H24N2OS.ClH/c1-5-18(23)15-10-11-17-20(12-15)24-19-9-7-6-8-16(19)22(17)14(2)13-21(3)4;/h6-12,14H,5,13H2,1-4H3;1H
InChkey
BXSAUVGIPSJAOJ-UHFFFAOYSA-N
Canonical Smiles
CCC(=O)C1=CC2=C(C=C1)N(C3=CC=CC=C3S2)C(C)CN(C)C.Cl
Safety and Handling
Safety Statements
Poison by intravenous and intramuscular routes. Moderately toxic by skin contact. When heated to decomposition it emits very toxic fumes of SOx, NOx, and HCl.
Computational chemical data
  • Molecular Weight:376.943g/mol
  • Molecular Formula:C7H2CLF3O
  • Compound Is Canonicalized:True
  • Exact Mass:376.138
  • Monoisotopic Mass:376.138
  • Complexity:441
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:48.8A^2
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceB7IABEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACxQAAAHgQAAAAADCzB2AQywYMAAAiI AqRSQACCAAAlChAIiB0IZMgIYHLglZGUIQhggADoyYcYiYCeCAAAgAAAAQAQAAEAAAACAAAAAAAA AA==
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Recommended Suppliers
  • Tel:+86-571-85378921
  • Fax:
  • Tel:+033-4-94 86 32 27
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  • Fax:1-631-6147828
 
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