Clemastine

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Properties Simple | Detailed

Formula C21H26ClNO
IUPAC Name (1s,2r)-2-[2-[(1r)-1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]-1-methyl-pyrrolidine
Molecular Mass 343.890 g·mol−1
Heat of Formation -95.5 ± 16.7 kJ·mol−1
Dipole Moment 1.82 ± 1.08 D
Volume 437.54 Å 3
Surface Area 341.71 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-(2r)-2-(2-(((r)-p-chloro-alpha-methyl-alpha-phenylbenzyl)oxy)ethyl)-1-methylpyrrolidine
  • (2r)-2-(2-{[(1r)-1-(4-chlorophenyl)-1-phenylethyl]oxy}ethyl)-1-methylpyrrolidine
  • (2r)-2-[2-[(1r)-1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]-1-methyl-pyrrolidine
  • (2r)-2-[2-[(1r)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine
  • 14976-57-9 (fumarate)
  • 2(r)-[2-[(1r)-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl-1-methylpyrrolidine
  • 2-(2-(4-chlor-alpha-methylbenzhydryloxy)ethyl)-1-methylpyrrolidin
  • bpbio1_000300
  • hs 592
  • hs-592
  • meclastin
  • mecloprodin
  • pyrrolidine, 2-(2-(1-(4-chlorophenyl)-1-phenylethoxy)ethyl)-1-methyl-, (r-(r*,r*))-
  • tavist (*fumarate*)
  • tocris-1453
InChIKey YNNUSGIPVFPVBX-NHCUHLMSSA-N
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Elements H C N O Cl