General Information of the Compound
| Compound ID |
CP0369775
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| Compound Name |
ETORPHINE
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| Synonyms |
19-Propylorvinol
6,14-Ethenomorphinan-7-methanol, 4,5-epoxy-3-hydroxy-6-methoxy-.alpha.,17-dimethyl-.alpha.-propyl-, [5.alpha.,7.alpha.(R)]-
6,14-endo-Ethenotetrahydrooripavine, 7.alpha.-(1-hydroxy-1-methylbuty
7.alpha.-Etorphine
AC1LARGT
BDBM82425
CAHCBJPUTCKATP-UHFFFAOYSA-N
CAS_61677
ETORPHINE - HCI
Etorphine
FT-0668440
GTPL1625
L024016
M99
NSC_61677
Oripavine, 6,14-endo-ethylenetetrahydro-7-(1-hydroxy-1-methylbutyl)-
SCHEMBL10031275
Tetrahydro-7-.alpha.-(1-hydroxy-1-methylbutyl)-6,14-endo-ethenooripavine
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| Structure |
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| Formula |
C25H33NO4
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| Molecular Weight |
411.542
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| Canonical SMILES |
CCC[C@@](C)(O)[C@H]1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4O
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| InChI |
InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17-,18-,21-,22-,23-,24+,25-/m1/s1
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| InChIKey |
CAHCBJPUTCKATP-FAWZKKEFSA-N
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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: PT01526, Delta-type opioid receptor
Protein ID: PT01791, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor
Clinical Information about the Compound