LAPYRIUM

Search structure
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5172AI8LRR

Structure
InChI Key UGJWZYARKOFRDB-UHFFFAOYSA-O
Smile CCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1
InChI
InChI=1S/C21H34N2O3/c1-2-3-4-5-6-7-8-9-11-14-21(25)26-18-15-22-20(24)19-23-16-12-10-13-17-23/h10,12-13,16-17H,2-9,11,14-15,18-19H2,1H3/p+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H35N2O3+
Molecular Weight 363.52
AlogP 3.55
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 15.0
Polar Surface Area 59.28
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 26.0

Cross References

Resources Reference
ChEBI 135534
ChEMBL CHEMBL1201786
DrugBank DB09376
DrugCentral 3314
EPA CompTox DTXSID50148865
FDA SRS 5172AI8LRR
PubChem 22660
ZINC ZINC000008214591
CONTENTS