deramciclane   Click here for help

GtoPdb Ligand ID: 5490

Synonyms: EGIS-3886 | EGYT 3886 | EGYT-3886 | EGYT3886
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 12.47
Molecular weight 301.24
XLogP 4.57
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN(CCOC1(CC2C(C1(C)CC2)(C)C)c1ccccc1)C
Isomeric SMILES CN(CCO[C@@]1(C[C@@H]2C([C@@]1(C)CC2)(C)C)c1ccccc1)C
InChI InChI=1S/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19-,20+/m1/s1
InChI Key QOBGWWQAMAPULA-RLLQIKCJSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N,N-dimethyl-2-[[(1R,4R,6S)-1,7,7-trimethyl-6-phenyl-6-bicyclo[2.2.1]heptanyl]oxy]ethanamine
International Nonproprietary Names Click here for help
INN number INN
6838 deramciclane
Synonyms Click here for help
EGIS-3886 | EGYT 3886 | EGYT-3886 | EGYT3886
Database Links Click here for help
CAS Registry No. 120444-71-5 (source: Scifinder)
ChEMBL Ligand CHEMBL2104698
GtoPdb PubChem SID 178102137
PubChem CID 119590
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Wikipedia Deramciclane