normorphine   

GtoPdb Ligand ID: 1630

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 0
Topological polar surface area 61.72
Molecular weight 271.12
XLogP 0.25
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC1C=CC2C34C1Oc1c4c(CC2NCC3)ccc1O
Isomeric SMILES O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2NCC3)ccc1O
InChI InChI=1S/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2/t9-,10+,12-,15-,16-/m0/s1
InChI Key ONBWJWYUHXVEJS-ZTYRTETDSA-N
Classification
Compound class Synthetic organic
IUPAC Name
4R,4aR,7S,7aR,12bS)-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
International Nonproprietary Names
INN number INN
833 normorphine
Database Links
CAS Registry No. 466-97-7 (source: Scifinder)
ChEMBL Ligand CHEMBL1227
GtoPdb PubChem SID 135650735
PubChem CID 5462508
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Wikipedia Normorphine