[3H]diprenorphine   Click here for help

GtoPdb Ligand ID: 1612

Synonyms: [15,16-3H]diprenorphine
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 62.16
Molecular weight 425.26
XLogP 2.52
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES COC12CCC3(CC1C(O)(C)C)C14C2Oc2c4c(CC3N(CC1)CC1CC1)ccc2O
Isomeric SMILES CO[C@]12CC[C@]3(C[C@@H]1C(O)(C)C)[C@@]14[C@H]2Oc2c4c(C[C@H]3N(C(C1[3H])[3H])CC1CC1)ccc2O
InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1/i10T,11T/t10?,11?,18-,19-,22-,24-,25+,26-
InChI Key OIJXLIIMXHRJJH-ZXJLXYCOSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
[15,16-3H]diprenorphine
Database Links Click here for help
GtoPdb PubChem SID 135651148
PubChem CID 6858272
Search Google for chemical match using the InChIKey OIJXLIIMXHRJJH-ZXJLXYCOSA-N
Search Google for chemicals with the same backbone OIJXLIIMXHRJJH
Search UniChem for chemical match using the InChIKey OIJXLIIMXHRJJH-ZXJLXYCOSA-N
Search UniChem for chemicals with the same backbone OIJXLIIMXHRJJH