Dinalbuphine Sebacate
bis[(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] decanedioate
Molecular Identity
Dinalbuphine Sebacate
bis[(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] decanedioate
PubChem CID: 9962795
2D Structure
Properties
C52H68N2O10
Molecular Formula
881.10
Molecular Weight
g/mol
880.4874
Exact Mass
Da
5
XLogP
Above Lipinski threshold
158
TPSA
May have limited oral absorption
4
H-Bond Donors
12
H-Bond Acceptors
1640
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(C1)CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)OC(=O)CCCCCCCCC(=O)OC7=C8C9=C(CC1C2(C9(CCN1CC1CCC1)C(O8)C(CC2)O)O)C=C7)O5)O)OIsomeric SMILES
SMILES: C1CC(C1)CN2CC[C@]34[C@@H]5[C@H](CC[C@]3([C@H]2CC6=C4C(=C(C=C6)OC(=O)CCCCCCCCC(=O)OC7=C8C9=C(C[C@@H]1[C@]2([C@]9(CCN1CC1CCC1)[C@@H](O8)[C@H](CC2)O)O)C=C7)O5)O)OSynonyms(20)
Nalbuphine sebacateDinalbuphine sebacateNaldebain464OXX39Y6Nalbuphine sebacate [INN]UNII-464OXX39Y6sebacato de dinalbufinasebacate de dinalbuphineDINALBUPHINE SEBACATE [INN]NALBUPHINE SEBACATE [WHO-DD]bis[(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] decanedioatedinalbuphini sebacasbis((4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro(3,2-e)isoquinolin-9-yl) decanedioateRefChem:134424Sebacoyldinalbuphine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Dinalbuphine Sebacate
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