Buprenorphine

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Properties Simple | Detailed

Formula C29H41NO4
IUPAC Name buprenorphine
Molecular Mass 467.640 g·mol−1
Heat of Formation -628.5 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 575.32 Å 3
Surface Area 423.54 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy 3.14 ± eV
Point Group Symmetry C1
Synonyms
  • 21-cyclopropyl-7alpha-(2-hydroxy-3,3-dimethyl-2-butyl)-6,14-endo-ethano-6,7,8,14-tetrahydrooripavine
  • 21-cyclopropyl-7alpha-[(s)-1-hydroxy-1,2,2-trimethylpropyl]-6,14-endo-ethano-6,7,8,14-tetrahydrooripavine
  • 6,14-ethenomorphinan-3-ol, 17-(cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-7-[(1s)-1-hydroxy-1,2,2-trimethylpropyl]-6-methoxy-, (5alpha,7alpha)-
  • 6,14-ethenomorphinan-7-methanol, 17-(cyclopropylmethyl)-alpha-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-alpha-methyl-,
  • 6,14-ethenomorphinan-7-methanol, 17-(cyclopropylmethyl)-alpha-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-alpha-methyl-, (alphas,5alpha,7alpha)- (9ci)
  • [5alpha,7alpha(s)]-
  • [5alpha,7alpha(s)]-17-(cyclopropylmethyl)-alpha-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-alpha-methyl-6,14-ethenomorphinan-7-methanol
  • rx 6029m
InChIKey RMRJXGBAOAMLHD-IHFGGWKQSA-N
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