3-(4-((3Ar,9Br)-9-Methoxy-1,3A,4,9B-Tetrahydrochromeno[3,4-C]Pyrrol-2(3H)-Yl)Butyl)-8-Phenylpyrazino[2',3':4,5]Thieno[3,2-D]Pyrimidine-2,4(1H,3H)-Dione

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Properties Simple | Detailed

Formula C30H29N5O4S++
IUPAC Name 3-[4-[(2r,3ar,9br)-9-methoxy-3,3a,4,9b-tetrahydro-1h-chromeno[3,4-c]pyrrol-2-yl]butyl]-8-phenyl-pyrazino[1,2]thieno[3,4-b]pyrimidine-2,4-dione
Molecular Mass 555.647 g·mol−1
Heat of Formation -222.5 ± 16.7 kJ·mol−1
Dipole Moment 5.27 ± 1.08 D
Volume 630.9 Å 3
Surface Area 546.56 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -1.81 ± eV
Point Group Symmetry C1
Synonyms
  • 8-phenyl-3-(4-((3ar,9br)-1,3a,4,9b-tetrahydro-9-methoxy(1)benzopyrano(3,4-c)pyrrol-2(3h)-yl)butyl)pyrazino(2',3':4,5)thieno(3,2-d)pyrimidine-2,4(1h,3h)-dione.
  • fiduxosin
CAS Number(s)
  • 208993-54-8
InChIKey WDTAYDBPNYFWDR-WOJBJXKFSA-N
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