Isotretinoin

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Properties Simple | Detailed

Formula C20H28O2
IUPAC Name (2z,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
Molecular Mass 300.435 g·mol−1
Heat of Formation -334.6 ± 16.7 kJ·mol−1
Dipole Moment 3.60 ± 1.08 D
Volume 417.82 Å 3
Surface Area 368.04 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (13cis)-retinoic acid
  • (2z,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid
  • 13-cis-retinoic acid
  • 13-cis-retinoic acid,isotretinoin
  • 13-cis-vitamin a acid
  • 13-ra
  • 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)2-cis-4-trans-6-trans-8-trans-nonatetraenoic acid
  • accutane
  • amnesteem
  • bpbio1_000080
  • cip-isotretinoin
  • claravis
  • d00348
  • drg-0213
  • isotretinoin (usp)
  • isotrex
  • lmpr01090021
  • neovitamin a acid
  • retinoic acid 13-cis-form
  • retinoic acid, (13cis)-
  • retinoic acid, 13-cis-
  • retinoic acid, cis-
  • ro-4-3780
  • ro-43780
  • roaccutan
  • roaccutane
  • roacutan
  • sotret
  • teriosal
CAS Number(s)
  • 97950-17-9
  • 4759-48-2
InChIKey SHGAZHPCJJPHSC-XFYACQKRSA-N
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