Naloxone
PubChem CID: 5284596
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| Compound Synonyms | naloxone, 465-65-6, l-Naloxone, n-Allylnoroxymorphone, (-)-Naloxone, Narcan, Naloxona, EN 1530 base, Naloxonum, Nalossone [DCIT], Naloxonum [INN-Latin], Nalossone, Naloxona [INN-Spanish], N-Allyl-noroxymorphone, DBL Naloxone, 1-N-Allyl-14-hydroxynordihydromorphinone, HSDB 3279, Naloxone Nasal Spray, Nyxoid, 1-N-Allyl-7,8-dihydro-14-hydroxynormorphinone, l-N-Allyl-14-hydroxynordihydromorphinone, EINECS 207-365-7, UNII-36B82AMQ7N, NSC 70413, NSC-70413, 17-Allyl-4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one, Naloxone (INN), 17-Allyl-4,5-alpha-epoxy-3,14-dihydroxymorphinan-6-one, l-N-Allyl-7,8-dihydro-14-hydroxynormorphinone, BRN 1089071, 36B82AMQ7N, CHEBI:7459, DTXSID8023349, N-Allyl-4,5alpha-epoxy-3,14-dihydroxy-6-morphinanon, Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5alpha)-, 12-Allyl-7,7a,8,9-tetrahydro-3,7a-dihydroxy-4aH-8,9c-iminoethanophenanthro(4,5-bcd)furanone, Morphinan-6-one, 17-allyl-4,5alpha-epoxy-3,14-dihydroxy-, Morphinan-6-one, 4,5alpha-epoxy-3,14-dihydroxy-17-(2-propenyl)-, 17-allyl-3,14-dihydroxy-4,5alpha-epoxymorphinan-6-one, Normorphinone, N-allyl-7,8-dihydro-14-hydroxy-, (-)-, DTXCID703349, NIOSH/QD2135000, Nalone, RAM-301, (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one, Naloxonum (INN-Latin), Narcon, NALOXONE [INN], Naloxona (INN-Spanish), 7,8-Dihydro-N-allyl-14-hydroxynormorphinone, Naloxone [INN:BAN], QD21350000, 3,14-dihydroxy-17-(prop-2-en-1-yl)-4,5alpha-epoxymorphinan-6-one, Morphinan-6-one, 4,5-alpha-epoxy-3,14-dihydroxy-17-(2-propenyl)-, NALOXONE (USP-RS), NALOXONE [USP-RS], Normorphinone, 7,8-dihydro-N-allyl-14-hydroxy-, (-)-N-ALLYL-14-HYDROXYNORDIHYDROMORPHINONE, (1S,5R,13R,17S)-10,17-dihydroxy-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one, 17-Allyl-3,14-dihydroxy-4,5-alpha-epoxymorphinan-6-one, 17-ALLYL-4,5A-EPOXY-3,14-DIHYDROXYMORPHINAN-6-ONE, Morphinan-6-one, 17-allyl-3,14-dihydroxy-4,5-alpha-epoxy-, MLS000069540, MORPHINAN-6-ONE, 4,5-EPOXY-3,14-DIHYDROXY-17-(2-PROPENYL)-, (5alpha)-3,14-dihydroxy-17-prop-2-en-1-yl-4,5-epoxymorphinan-6-one, [3H]naloxone, CAS-465-65-6, NSC70413, DBL Naloxone (TN), MLS000736771, SMR000058766, [N-allyl-2,3-3H]naloxone, NCGC00162267-02, Naloxonum (Latin), NLX, Normorphinone, N-allyl-dihydro-14-hydroxy-, naloxoni hydrochloridum, NALOXONE [HSDB], NALOXONE [MI], CHEMBL80, NALOXONE [VANDF], Prestwick0_000111, Prestwick1_000111, Prestwick2_000111, Prestwick3_000111, NALOXONE [WHO-DD], NALOXONE [EMA EPAR], SCHEMBL34284, BSPBio_000122, (-)-N-allyl-14-hydroxynordihydroxymorphinan-6-one, BIDD:GT0110, SPBio_002061, NALOXONE [ORANGE BOOK], BPBio1_000136, GTPL1638, GTPL1676, BDBM54795, cid_5464092, A06AH04, V03AB15, Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5.alpha.)-, BDBM579486, HMS2090F20, US11484525, Compound Naloxone, Tox21_112006, (5alpha)-4,5-Epoxy-3,14-dihydroxy-17-(2-propenyl)morphinan-6-one, BDBM50000788, HY-17417A, PDSP2_001520, AKOS016009988, Tox21_112006_1, DB01183, FN61467, SMP1_000205, NCGC00024674-02, NCGC00024674-03, NCGC00024674-14, NCGC00274058-01, 12-Allyl-7,7a,8,9-tetrahydro-3,7a-dihydroxy-4aH-8,9c-iminoethanophenanthro[4,5-bcd]furan-5(6H)-one, DA-65917, 4683B, CS-0012343, Kloxxado (naloxone hydrochloride nasal spray), NS00002914, C07252, D08249, EN300-19748912, Morphinan-6-one,5.alpha.-epoxy-3,14-dihydroxy-, Q282902, BRD-K67511046-001-02-3, BRD-K67511046-003-03-7, BRD-K67511046-003-14-4, BRD-K67511046-003-15-1, BRD-K67511046-003-16-9, (5?)-3,14-Dihydroxy-17-prop-2-en-1-yl-4,5-epoxymorphinan-6-one, Morphinan-6-one, 17-allyl-4,5alpha-epoxy-3,14-dihydroxy- (8CI), Morphinan-6-one,5.alpha.-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5alpha)-4,5-Epoxy-3,14-dihydroxy-17-(2-propen-1-yl)morphinan-6-one, [17-(2,3-3H-2-propenyl)]-4, 5a -epoxy-3,14-dihydroxymorphinan-6-one, Morphinan-6-one,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5.alpha.)-, 4aH-8,5-bcd]furan-5(6H)-one, N-allyl-7,7a,8,9-tetrahydro-3,7a-dihydroxy-, Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5alpha)- (9CI), (4R,4aS,7aR,12bS)-3-allyl-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one, hydrochloride, (4R,4aS,7aR,12bS)-4a,9-bis(oxidanyl)-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one, hydrochloride, (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one, hydrochloride, (naloxone) 4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one, (naloxone)4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one, (naloxone)4-allyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one, 207-365-7, 4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one, 4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one (naloxone), 4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one( Naloxone), 4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one(Naxolone), 4-allyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one, 4-allyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one(naloxone)C2H2O4 |
|---|---|
| Topological Polar Surface Area | 70.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 594.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | P33535, P41145, P35372, P41143, P33534, P41144, P42866, P34975, P97266, P33533, Q99720, P32300, P79350, P19020, P51682, P30542, Q9R0C9, n.a., P22309, Q9HAW8, P35503, P22310, Q9HAW9, P54855, P16662, P10635, P51589, Q06278, O60656, O95342, Q92887, O15438, O15439 |
| Iupac Name | (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one |
| Prediction Hob | 0.0 |
| Target Id | NPT272, NPT145, NPT271, NPT110, NPT713 |
| Xlogp | 2.1 |
| Molecular Formula | C19H21NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UZHSEJADLWPNLE-GRGSLBFTSA-N |
| Fcsp3 | 0.5263157894736842 |
| Logs | -2.433 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.968 |
| Compound Name | Naloxone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 327.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 327.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 327.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2394559999999997 |
| Inchi | InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 |
| Smiles | C=CCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all