(4Ar,4Bs,6As,7S,9As,9Bs,11Ar)-N-Isopropyl-N-(Isopropylcarbamoyl)-1,4A,6A-Trimethyl-2-Oxohexadecahydro-1H-Indeno[5,4-F]Quinoline-7-Carboxamide

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Properties Simple | Detailed

Formula C27H40N3O3
IUPAC Name (e)-[[(1s,3as,3bs,5ar,9ar,9bs,11as)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1h-indeno[5,4-f]quinoline-1-carbonyl]-isopropyl-carbamoyl]-prop-2-ynylidene-ammonium
Molecular Mass 454.625 g·mol−1
Heat of Formation -867.6 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 594.39 Å 3
Surface Area 457.65 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 3.68 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3as,3bs,5ar,9ar,9bs,11as)-6,9a,11a-trimethyl-7-oxo-n-propan-2-yl-n-(propan-2-ylcarbamoyl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1h-indeno[5,4-f]quinoline-1-carboxamide
  • (1s,3as,3bs,5ar,9ar,9bs,11as)-n-isopropyl-n-(isopropylcarbamoyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1h-indeno[5,4-f]quinoline-1-carboxamide
  • (1s,3as,3bs,5ar,9ar,9bs,11as)-n-isopropyl-n-(isopropylcarbamoyl)-7-keto-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1h-indeno[5,4-f]quinoline-1-carboxamide
  • (1s,3as,3bs,5ar,9ar,9bs,11as)-n-isopropyl-n-[(isopropylamino)-oxomethyl]-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1h-indeno[5,4-f]quinoline-1-carboxamide
  • 1,3-diisopropyl-1-((4-methyl-3-oxo-4-aza-5alpha-androstan-17beta-yl)carbonyl)urea
  • fce-26073
  • turosteride
CAS Number(s)
  • 137099-09-3
InChIKey WMPQMBUXZHMEFZ-YJPJVVPASA-N
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