[3H]naloxone   

GtoPdb Ligand ID: 1676

Synonyms: [N-allyl-2,3-3H]naloxone
   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 70
Molecular weight 327.15
XLogP 0.31
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES C=CCN1CCC23C4(C1Cc1c3c(OC2C(=O)CC4)c(cc1)O)O
Isomeric SMILES C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O
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
InChI Key UZHSEJADLWPNLE-GRGSLBFTSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(1S,5R,13R,17S)-10,17-dihydroxy-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one
Synonyms
[N-allyl-2,3-3H]naloxone
Database Links
ChEMBL Ligand CHEMBL80
DrugCentral Ligand 1878
GtoPdb PubChem SID 135651185
PubChem CID 5284596
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