General Information of the Compound
| Compound ID |
CP0676321
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| Compound Name |
Nalfurafine hydrochloride
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| Synonyms |
(-)-17-(Cyclopropylmethyl)-3,14
(2E)-N-[(5
152658-17-8
25CC4N0P8J
A)-17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl]-3-(3-furanyl)-N-methyl-2-propenamide Hydrochloride
A-[N-methyl-trans-3-(3-furyl)acrylamido]morphinan Hydrochloride
A-dihydroxy-4,5
A-epoxy-6
AC 820
BCP15625
CHEMBL490665
DJSFYNINGIMKAG-FQJQBBMWSA-N
DTXSID70426071
Nalfurafine (hydrochloride)
Nalfurafine HCl
Nalfurafine hcl
Nalfurafine hydrochloride
Nalfurafine hydrochloride [USAN:JAN]
Remitch
Remitch (TN)
SCHEMBL19856501
TRK-820
UNII-25CC4N0P8J
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| Structure |
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| Formula |
C28H33ClN2O5
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| Molecular Weight |
513.034
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| Canonical SMILES |
CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl
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| InChI |
InChI=1S/C28H32N2O5.ClH/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17;/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3;1H/b7-4+;/t20-,22-,26+,27+,28-;/m1./s1
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| InChIKey |
DJSFYNINGIMKAG-FQJQBBMWSA-N
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| CAS |
152658-17-8
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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
Protein ID: PT02001, Orexin/Hypocretin receptor type 1
Clinical Information about the Compound