Compound: naltrexone
SMILES: O=C1[C@@H]2Oc3c(O)ccc4c3[C@]25[C@](O)([C@H](N(CC6CC6)CC5)C4)CC1
InChIKey: DQCKKXVULJGBQN-XFWGSAIBSA-N
Synonyms: naltrexone, 16590-41-3, Vivitrol, Vivitrex, Celupan, Naltrexona, N-Cyclopropylmethylnoroxymorphone, Naltrexonum, Nemexin, N-Cyclopropylmethyl-14-hydroxydihydromorphinone, 17-(Cyclopropylmethyl)-4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one, 17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-one, UM-792, 5S6W795CQM, CHEBI:7465, EN-1639A FREE BASE, DTXSID4046313, (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, NSC-758439, DTXCID2026313, Nalorex, Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-, (5alpha)-, (1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one, Adepend, Opizone, Trexal, (1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo(9.6.1.0^(1,13).0^(5,17).0^(7,18))octadeca-7(18),8,10-trien-14-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, RefChem:56739, EN1639A, N07BB04, (1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo(9.6.1.01,13.05,17.07,18)octadeca-7(18),8,10-trien-14-one, 240-649-9, ReVia, (-)-Naltrexone, Naltrexonum [INN-Latin], (4R,4As,7aR)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one, Naltrexona [INN-Spanish], Naltrexone (1.0 mg/mL in Methanol), Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-, (5.alpha.)-, Naltrexone [USAN:INN:BAN], Naltrexone base anhydrous, CAS-16590-41-3, CCRIS 3506, HSDB 6750, EINECS 240-649-9, BRN 3596648, UNII-5S6W795CQM, (-)naltrexone, PTI-555, NCGC00162274-02, Vivitrol (TN), MFCD00242996, NALTREXONE [MI], NALTREXONE [INN], Naltrexone (USAN/INN), Prestwick0_000116, Prestwick1_000116, Prestwick2_000116, Prestwick3_000116, NALTREXONE [HSDB], NALTREXONE [USAN], NALTREXONE [VANDF], Epitope ID:549278, NALTREXONE [MART.], NALTREXONE [USP-RS], NALTREXONE [WHO-DD], US9107954, naltrexone, SCHEMBL34681, BSPBio_000132, orb611377, BIDD:GT0405, CHEMBL19019, SPBio_002071, BPBio1_000146, GTPL1639, NALTREXONE [ORANGE BOOK], SCHEMBL29366199, BDBM60212, cid_5485201, cyclopropylmethyl(dihydroxy)[?]one, HMS2089O11, Naltrexone (1 mg/mL in Methanol), EX-A4863, Tox21_112007, 3,14-dihydroxy-17-(cyclopropylmethyl)-4,5alpha-epoxymorphinan-6-one, BDBM50000787, EBC-26662, PDSP2_000847, AKOS015994596, Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-alpha-epoxy-3,14-dihydroxy-, Tox21_112007_1, CS-0880, DB00704, HS-0002, NSC 758439, SMP1_000206, NCGC00024427-03, NCGC00024427-04, NCGC00024427-05, AC-36726, DA-55992, HY-76711, NS00009185, C07253, D05113, AB00174152-14, AB00174152_17, EN300-19748946, Q409587, BRD-K88172511-003-19-5, BRD-K88172511-003-20-3, BRD-K88172511-003-21-1, BRD-K88172511-310-03-8, 17-(Cyclopropylmethyl)-3,14-dihydroxy-5alpha-4,5-epoxymorphinan-6-one, 17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxmorphinan-6-one, (5.alpha.)-, (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(oxidanyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride, (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,3,4,4a,5,6-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7(7aH)-one, (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride
Theoretical properties:
molecular_formula: C20H23NO4
molecular_weight: 341.4 g/mol
exact_mass: 341.16270821 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 2
heavy_atom_count: 25
topological_polar_surface_area: 70 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Crystals from acetone
color: Crystals from acetone
melting_point: 168-170 °C
Descriptions:
{"pubchem": "Naltrexone is an organic heteropentacyclic compound that is naloxone substituted in which the allyl group attached to the nitrogen is replaced by a cyclopropylmethyl group. A -opioid receptor antagonist, it is used to treat alcohol dependence. It has a role as a central nervous system depressant, a xenobiotic, a mu-opioid receptor antagonist, an environmental contaminant and an antidote to opioid poisoning. It is an organic heteropentacyclic compound, a member of cyclopropanes and a morphinane-like compound. It is a conjugate base of a naltrexone(1+).", "chebi": "An  organic heteropentacyclic compound that is naloxone substituted in which the allyl group attached to the nitrogen is replaced by a cyclopropylmethyl group. A \u03bc-opioid receptor antagonist, it is used to treat alcohol dependence.", "chembl": "NALTREXONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.", "wikipedia": "Naltrexone, sold under the brand name Revia among others, is a medication primarily used to manage alcohol use or opioid use disorder by reducing cravings and feelings of euphoria associated with substance use disorder. It has also been found effective in the treatment of other addictions and may be used for them off-label. The combination naltrexone/bupropion is used to treat obesity. \nNaltrexone is an opioid antagonist and works by blocking the effects of opioids, including both opioid drugs as well as opioids naturally produced in the brain. It is taken orally or by injection into a muscle. Effects begin within 30 minutes, though a decreased desire for opioids may take a few weeks to occur.\nSide effects may include trouble sleeping, anxiety, nausea, and headaches. In those still on opioids, opioid withdrawal may occur. Use is not recommended in people with liver failure. It is unclear if use is safe during pregnancy. \nNaltrexone was first made in 1965 and was approved for medical use in the United States in 1984. It is on the World Health Organization's List of Essential Medicines. In 2021, it was the 254th most commonly prescribed medication in the United States, with more than 1 million prescriptions."}