LAPYRIUM CHLORIDE

Search structure
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 732T8851QH

Structure
InChI Key HPKFFZSXDWPVLX-UHFFFAOYSA-N
Smile CCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1.[Cl-]
InChI
InChI=1S/C21H34N2O3.ClH/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;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H35ClN2O3
Molecular Weight 398.98
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
ChEMBL CHEMBL1201787
EPA CompTox DTXSID5042085
FDA SRS 732T8851QH
PubChem 22659
SureChEMBL SCHEMBL138621
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