Paricalcitol

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Formula C27H44O3
IUPAC Name (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,1r,4s)-5-hydroxy-1,4,5-trimethyl-hex-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
Molecular Mass 416.636 g·mol−1
Heat of Formation -757.4 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 572.6 Å 3
Surface Area 454.22 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (1alpha,3beta,7e,22e)-19-nor-9,10-secoergosta-5,7,22-triene-1,3,25-triol
  • (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,1r,4s)-5-hydroxy-1,4,5-trimethyl-hex-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
  • (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,1r,4s)-5-hydroxy-1,4,5-trimethylhex-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
  • (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,2r,5s)-6-hydroxy-5,6-dimethyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
  • (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,2r,5s)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
  • (1r,3r)-5-[2-[(1r,3as,7ar)-1-[(1r,4s)-5-hydroxy-1,4,5-trimethyl-hex-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
  • (1r,3r)-5-[2-[(1r,3as,7ar)-1-[(1r,4s)-5-hydroxy-1,4,5-trimethylhex-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
  • (1r,3r)-5-[2-[(1r,3as,7ar)-1-[(2r,5s)-6-hydroxy-5,6-dimethyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
  • (1r,3r)-5-[2-[(1r,3as,7ar)-1-[(2r,5s)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
  • (7e,22e)-19-nor-9,10-secoergosta-5,7,22-triene-1alpha,3beta,25-triol
  • 19-nor-1,25-(oh)2d2
  • 19-nor-1alpha,25-dihydroxyvitamin d2
  • 19-nor-9,10-secoergosta-5,7,22-triene-1,3,25-triol, (1alpha,3beta,7e,22e)-
  • compound-49510
  • d00930
  • paracalcin
  • paricalcitol (usan/inn)
CAS Number(s)
  • 131918-61-1
InChIKey BPKAHTKRCLCHEA-UBFJEZKGSA-N
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