dihydromorphine   Click here for help

GtoPdb Ligand ID: 1616

Synonyms: paramorphan
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 52.93
Molecular weight 287.15
XLogP 0.74
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC1CCC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O
Isomeric SMILES O[C@H]1CC[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O
InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
InChI Key IJVCSMSMFSCRME-KBQPJGBKSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Synonyms Click here for help
paramorphan
Database Links Click here for help
CAS Registry No. 509-60-4 (source: NCI)
ChEMBL Ligand CHEMBL1500
GtoPdb PubChem SID 135650183
PubChem CID 5359421
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Wikipedia Dihydromorphine