Compound: Norbinaltorphimine
SMILES: O1c2c(O)ccc3c2[C@@]45[C@@H]1c6[nH]c7[C@@H]8Oc9c(O)ccc%10c9[C@@]8%11CCN([C@@H]([C@@]%11(Cc7c6C[C@@]4(O)[C@H](N(CC%12CC%12)CC5)C3)O)C%10)CC%13CC%13
InChIKey: APSUXPSYBJVPPS-YAUKWVCOSA-N
Synonyms: Norbinaltorphimine, nor-Binaltorphimine, 105618-26-6, Nor-bni, 36OOQ86QM1, DTXSID90897163, 4,8:11,15-Dimethano-20H-bisbenzofuro(2,3-a:3',2'-i)dipyrido(4,3-b:3',4'-h)carbazole-1,8a,10a,18-tetrol, 7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-, (4bS,8R,8aS,10aS,11R,14aS,19aR,20bR)-, RefChem:166550, DTXCID101326583, NorBNI, (1S,2S,7S,8S,12R,20R,24R,32R)-11,33-bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.030,36.018,37]heptatriaconta-4(23),5(21),14(37),15,17,26,28,30(36)-octaene-2,7,17,27-tetrol, C18130, UNII-36OOQ86QM1, C40H43N3O6, NOR-BNI (HCI)2, A1AD6, Lopac0_000806, CHEMBL573214, GTPL1642, N-DEMETHYLBINALTORPHIMINE, orb1737957, N-DEMETHYLBINALTRORPHIMINE, SCHEMBL12013206, SCHEMBL29389761, BDBM82551, CHEBI:81529, PDSP2_001420, CCG-204890, SDCCGSBI-0050783.P002, 14aS,19aR,20bR)- (9CI), NCGC00024547-02, NCGC00024547-03, NCGC00024547-04, NCGC00024547-06, 4,8:11,15-Dimethano-20H-bisbenzofuro(2,3-a:3',2'-i)dipyrido(4,3-b:3',4'-h)carbazole-1,8a,10a,18-tetrol, 7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-20-methyl-, (8R-(4bR*,8alpha,8abeta,10aalpha,11beta,14aR*,19aalpha,20bbeta))-, BP-20300, FN159650, HY-117040, CS-0063559, NS00075557, ta,10aalpha,11beta,14aS*,19aalpha,20bbeta)]-, BRD-K36381762-300-02-7, Q27087998, 11,12,13,14,19a,20b-dodecahydro-, (4bS,8R,8aS,10aS,11R,14aS,19aR,20bR)-, (4bS,8R,8aS,10aS,11R,14aS,19aR,20bR)-7,12-Bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,20,20b-dodecahydro-19aH-4,8:11,15-dimethanobis[1]benzofuro[2,3-a:3',2'-i]dipyrido[4,3-b:3',4'-h]carbazole-1,8a,10a,18-tetrol, 17,17'-(Dicyclopropylmethyl)-6,6',7,7'-6,6'-imino- 7,7'-binorphinan-3,4',14,14'-tetrol, 4,8:11,15-Dimethano-20H-bisbenzofuro(2,3-a:3',2'-i)dipyrido(4,3-b:3',4'-h)carbazole-1,8a,10a,18-tetrol,7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-20-methyl-, (8R-(4bR*,8a, 4,8:11,15-Dimethano-20H-bisbenzofuro[2,3-a:3',2'-i]dipyrido[4,3-b:3',4'-h]carbazole-1,8a,10a,18-tetrol, 7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-, (4bS,8R,8aS,10aS,11R,, 4,8:11,15-Dimethano-20H-bisbenzofuro[2,3-a:3',2'-i]dipyrido[4,3-b:3',4'-h]carbazole-1,8a,10a,18-tetrol, 7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-, [8R-(4bS*,8alpha,8abe, lpha,8abeta,10aalpha,11beta,14aR*,19aalpha,20bbeta))- 4,8:11,15-dimethano-20H-bisbenzofuro[2,3-a:3',2'-i]dipyrido[3,4-h:4',3'-b]carbazole-1,8a,10a,18-tetrol, 7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,
Theoretical properties:
molecular_formula: C40H43N3O6
molecular_weight: 661.8 g/mol
exact_mass: 661.31518610 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 5
hydrogen_bond_acceptor_count: 8
rotatable_bond_count: 4
heavy_atom_count: 49
topological_polar_surface_area: 122 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Norbinaltorphimine is a member of isoquinolines.
chembl: NORBINALTORPHIMINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Norbinaltorphimine (nor-BNI or nBNI) is an opioid receptor antagonist used in scientific research. It is a highly selective inverse agonist for the κ-opioid receptor. In animals, nor-BNI blocks the effects of κ-opioids with a slow onset and an exceptionally long duration of action (up to several months). It produces antidepressant-like and anxiolytic-like effects in animal models.