General Information of the Compound
| Compound ID |
CP0048724
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| Compound Name |
(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
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| Synonyms |
(-)-Naltrexone
16590-41-3
5S6W795CQM
BRN 3596648
CCRIS 3506
CHEBI:7465
Celupan
Depotrex
EINECS 240-649-9
EN-1639A [AS HYDROCHLORIDE]
HSDB 6750
IBS therapy, Pain Therapeutics
Irritable bowel syndrome therapy, Pain Therapeutics
N-Cyclopropylmethyl-14-hydroxydihydromorphinone
N-Cyclopropylmethylnoroxymorphone
Naltrel
Naltrexona [INN-Spanish]
Naltrexone
Naltrexone (low-dose), Pain Therapeutics
Naltrexone (once-monthly controlled-release, Medisorb), Alkermes
Naltrexone (polymer microcapsule depot, opioid addiction/alcohol dependency), Biotek
Naltrexone (sustained release), DAS
Naltrexone (sustained release), elbion
Naltrexone (transdermal, alcohol/opioid dependence), Syntropharma
Naltrexone Depot
Naltrexone [USAN:INN:BAN]
Naltrexone depot (injectable suspension), DrugAbuse Sciences
Naltrexone depot (injectable suspension), elbion
Naltrexone hydrochloride
Naltrexonum [INN-Latin]
Nemexin
Opioid antagonists (irritable bowel syndrome), Pain Therapeutics
PTI-901
ReVia
UM-792
UNII-5S6W795CQM
Vivitrex
Vivitrol
XR-NTX
naltrexone
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| Structure |
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| Formula |
C20H23NO4
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| Molecular Weight |
341.407
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| Canonical SMILES |
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
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| InChI |
InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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| InChIKey |
DQCKKXVULJGBQN-XFWGSAIBSA-N
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| CAS |
16590-41-3
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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: PT01200, Delta-type opioid receptor
Cell-based Assay
Protein ID: PT01791, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Cell-based Assay
Protein ID: PT02264, Kappa-type opioid receptor
Protein ID: PT01188, Kappa-type opioid receptor
Protein ID: PT01460, Kappa-type opioid receptor
Protein ID: PT02699, Mu-type opioid receptor
Cell-based Assay
Protein ID: PT01515, Mu-type opioid receptor
Cell-based Assay
Protein ID: PT01549, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor
Clinical Information about the Compound
Drug 1 ( Naltrexone )
| Drug Name | Naltrexone | ||
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| Company | Tni biotech; DrugAbuse Sciences; Alkermes Inc | ||
| Indication | |||