General Information of the Compound
| Compound ID |
CP0462731
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| Compound Name |
4-cyclopropylmethyl-(13R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-triene-10,14,17-triol
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| Synonyms |
49625-89-0
6-alpha-naltrexol
6-beta-naltrexol
6alpha-Hydroxynaltrexone
6alpha-Naltrexol
6alpha-Naltrexone
6beta-Hydroxynaltrexone
6beta-Naltrexol
6beta-Naltrexone
AIKO-150
BDBM50001709
CHEMBL140278
DTXSID80197942
FT-0672600
J0W963M37T
JLVNEHKORQFVQJ-PYIJOLGTSA-N
N-Cyclopropylmethyl-7,8-dihydro-14-hydroxynorisomorphine
NCGC00165851-01
Naltrexone-6-beta-ol
Opioid neutral antagonists (iv, pain), Aiko Biotechnology
SCHEMBL679700
UNII-J0W963M37T
ZINC6092289
alpha-Naltrexol
beta-Naltrexol
naltrexol
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| Structure |
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| Formula |
C20H25NO4
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| Molecular Weight |
343.423
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| Canonical SMILES |
O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
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| InChI |
InChI=1S/C20H25NO4/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/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15-,18+,19+,20-/m1/s1
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| InChIKey |
JLVNEHKORQFVQJ-PYIJOLGTSA-N
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| CAS |
49625-89-0
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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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Clinical Information about the Compound