N-DESETHYLOXYBUTYNIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8809SNK4F7

Structure
InChI Key SNIBJKHIKIIGPR-UHFFFAOYSA-N
Smile CCNCC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1
InChI
InChI=1S/C20H27NO3/c1-2-21-15-9-10-16-24-19(22)20(23,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3,5-6,11-12,18,21,23H,2,4,7-8,13-16H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H27NO3
Molecular Weight 329.44
AlogP 2.61
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 58.56
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 24.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 174441
ChEMBL CHEMBL3544785
FDA SRS 8809SNK4F7
Human Metabolome Database HMDB0061042
SureChEMBL SCHEMBL3364411
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