4-Amino-5-Chloro-2-Methoxy-N-[(3S,4R)-3-Methoxy-4-Piperidinyl]Benzamide

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Properties Simple | Detailed

Formula C14H20ClN3O3
IUPAC Name 4-amino-5-chloro-2-methoxy-n-[(3s,4r)-3-methoxy-4-piperidyl]benzamide
Molecular Mass 313.780 g·mol−1
Heat of Formation -461.8 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 363.2 Å 3
Surface Area 319.99 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-5-chloro-2-methoxy-n-[(3s,4r)-3-methoxy-4-piperidyl]benzamide
  • 4-amino-5-chloro-2-methoxy-n-[(3s,4r)-3-methoxypiperidin-4-yl]benzamide
  • ticalopride
CAS Number(s)
  • 202590-69-0
InChIKey OMLDMGPCWMBPAN-YPMHNXCESA-N
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Elements H C N O Cl