General Information of the Compound
| Compound ID |
CP0038839
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| Compound Name |
(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
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| Synonyms |
(-)-N-allyl-14-hydroxynordihydroxymorphinan-6-one
(-)-Naloxone
(5alpha)-3,14-dihydroxy-17-prop-2-en-1-yl-4,5-epoxymorphinan-6-one
(5alpha)-4,5-Epoxy-3,14-dihydroxy-17-(2-propenyl)morphinan-6-one
1-N-Allyl-14-hydroxynordihydromorphinone
1-N-Allyl-7,8-dihydro-14-hydroxynormorphinone
12-Allyl-7,7a,8,9-tetrahydro-3,7a-dihydroxy-4aH-8,9c-iminoethanophenanthro(4,5-bcd)furanone
12-Allyl-7,7a,8,9-tetrahydro-3,7a-dihydroxy-4aH-8,9c-iminoethanophenanthro[4,5-bcd]furan-5(6H)-one
17-Allyl-4,5-alpha-epoxy-3,14-dihydroxymorphinan-6-one
17-Allyl-4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one
17-allyl-3,14-dihydroxy-4,5alpha-epoxymorphinan-6-one
3,14-dihydroxy-17-(prop-2-en-1-yl)-4,5alpha-epoxymorphinan-6-one
DBL Naloxone
DBL Naloxone (TN)
EN 1530base
L-N-Allyl-14-hydroxynordihydromorphinone
L-N-Allyl-7,8-dihydro-14-hydroxynormorphinone
L-Naloxone
Morphinan-6-one, 17-allyl-4,5alpha-epoxy-3,14-dihydroxy-(8CI)
Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5alpha)-(9CI)
N-Allyl-4,5alpha-epoxy-3,14-dihydroxy-6-morphinanon
N-Allyl-noroxymorphone
N-Allylnoroxymorphone
Nalone
Nalone (TN)
Nalossone
Nalossone [DCIT]
Naloxona
Naloxona [INN-Spanish]
Naloxone
Naloxone (INN)
Naloxone HCl
Naloxone [INN:BAN]
Naloxonum
Naloxonum [INN-Latin]
Narcan
Narcan (TN)
Narcanti
Narcanti (TN)
Narcon
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| Structure |
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| Formula |
C19H21NO4
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| Molecular Weight |
327.38
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| Canonical SMILES |
Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
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| 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
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| InChIKey |
UZHSEJADLWPNLE-GRGSLBFTSA-N
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| CAS |
465-65-6
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00817, Cytochrome P450 2D6
Protein ID: PT01366, D(3) dopamine receptor
Protein ID: PT01200, Delta-type opioid receptor
Cell-based Assay
Protein ID: PT00983, Kappa-type opioid receptor
Cell-based Assay
Protein ID: PT01460, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Cell-based Assay
Protein ID: PT02699, Mu-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor
Clinical Information about the Compound