Nalbuphine Hydrochloride
(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol;hydrochloride
Molecular Identity
Nalbuphine Hydrochloride
(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol;hydrochloride
PubChem CID: 5360733
2D Structure
Properties
C21H28ClNO4
Molecular Formula
393.90
Molecular Weight
g/mol
393.1707
Exact Mass
Da
73.2
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
5
H-Bond Acceptors
597
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(C1)CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)O.ClIsomeric SMILES
SMILES: C1CC(C1)CN2CC[C@]34[C@@H]5[C@H](CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)O.ClSynonyms(20)
NALBUPHINE HYDROCHLORIDE23277-43-2Nalbuphine HCLEN-2234ANalbufine hydrochlorideEn 2234ANalbufina clorhidratoNSC-757829ZU4275277RDTXSID20177844(5alpha,6alpha)-17-(Cyclobutylmethyl)-4,5-epoxymorphinan-3,6,14-triol hydrochlorideN-Cyclobutylmethyl-14-hydroxydihydronormorphine hydrochlorideCHEBI:7455NALBUPHINE HCIRefChem:57231
Data from PubChem (NCBI)
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