Daphenylline

AlkaPlorer ID: AK294302

Synonym: None

IUPAC Name: 2,6-dimethyl-8-azahexacyclo[11.6.1.02,10.03,8.05,19.016,20]icosa-1(19),16(20),17-triene

Structure

SMILES: CC1CN2CC3CCC4CCC5=C4C4=C(C=C5)C1CC2C43C

copy

InChI: InChI=1S/C21H27N/c1-12-10-22-11-15-7-5-13-3-4-14-6-8-16-17(12)9-18(22)21(15,2)20(16)19(13)14/h6,8,12-13,15,17-18H,3-5,7,9-11H2,1-2H3

copy

InChIKey: FRNKVSPOMBSICI-UHFFFAOYSA-N

copy

Reference

PubChem CID: 74932723

COCONUT: CNP0189496.1

Properties Information

Molecule Weight: 293.454

TPSA: 3.24

MolLogP: 4.205300000000004

Number of H-Donors: 0

Number of H-Acceptors: 1

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information