Metofenazate

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Properties Simple | Detailed

Formula C31H36ClN3O5S
IUPAC Name 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate
Molecular Mass 598.153 g·mol−1
Heat of Formation -495.9 ± 16.7 kJ·mol−1
Dipole Moment 3.93 ± 1.08 D
Volume 699.35 Å 3
Surface Area 557.13 Å 2
HOMO Energy -7.76 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
Synonyms
  • 1-piperazineethanol, 4-(3-(2-chlorophenothiazin-10-yl)propyl)-, 3,4,5-trimethoxybenzoate
  • 2-(4-(3-(2-chlorophenothiazin-10-yl)propyl)-1-piperazinyl)ethyl 3,4,5-trimethoxybenzoate
  • 3,4,5-trimethoxybenzoic acid 2-[4-[3-(2-chloro-10-phenothiazinyl)propyl]-1-piperazinyl]ethyl ester
  • 3,4,5-trimethoxybenzoic acid 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl ester
  • benzoic acid, 3,4,5-trimethoxy-, 2-(4-(3-(2-chlorophenothiazin-10-yl)propyl)-1-piperazinyl)ethyl ester
  • t 5
InChIKey BAQLUVXNKOTTHU-UHFFFAOYSA-N
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Elements C Cl H O N S