Izonsteride

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Properties Simple | Detailed

Formula C24H26N2OS2
IUPAC Name (4ar,10br)-8-[(4-ethyl-1,3-benzothiazol-2-yl)sulfanyl]-4,10b-dimethyl-2,4a,5,6-tetrahydro-1h-benzo[f]quinolin-3-one
Molecular Mass 422.606 g·mol−1
Heat of Formation -2.6 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 507.61 Å 3
Surface Area 400.95 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • (4ar,10br)-8-[(4-ethyl-1,3-benzothiazol-2-yl)sulfanyl]-4,10b-dimethyl-2,4a,5,6-tetrahydro-1h-benzo[f]quinolin-3-one
  • (4ar,10br)-8-[(4-ethyl-1,3-benzothiazol-2-yl)thio]-4,10b-dimethyl-2,4a,5,6-tetrahydro-1h-benzo[f]quinolin-3-one
  • bezo(f)quinolin-3(2h)-one, 8-((4-ethyl-2-benzothiazolyl)thio)-1,4,4a,5,6,10b-hexahydro-4,10b-dimethyl-,(4ar-trans);
  • d04646
  • izonsteride (usan)
CAS Number(s)
  • 176975-26-1
InChIKey VMGWGDPZHXPFTC-HYBUGGRVSA-N
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