SequestOx
(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;dihydrochloride
Molecular Identity
SequestOx
(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;dihydrochloride
PubChem CID: 90479726
2D Structure
Properties
C38H46Cl2N2O8
Molecular Formula
729.70
Molecular Weight
g/mol
728.2631
Exact Mass
Da
129
TPSA
Good oral absorption (< 140 A²)
5
H-Bond Donors
10
H-Bond Acceptors
1170
Complexity
SMILES
Canonical SMILES
SMILES: CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O.C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)O.Cl.ClIsomeric SMILES
SMILES: CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O.Cl.ClSynonyms(11)
SequestOxNaltrexone / oxycodoneOxycodone / naltrexoneTroxyca ErALO-02Naltrexone hydrochloride / oxycodone hydrochlorideOxycodone hydrochloride / naltrexone hydrochlorideNaltrexone hydrochloride and oxycodone hydrochloride850636-71-4Oxycodone hydrochloride and naltrexone hydrochlorideSCHEMBL29405172
Data from PubChem (NCBI)
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