Tubifolidine; 1,2-Didehydro

AlkaPlorer ID: AK316887

Synonym: Tubifoline, 1,2-Didehydro-17-norcuran, Decarbomethoxy-19,20-dihydroakuammicine

IUPAC Name: 12-ethyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,8-tetraene

Structure

SMILES: CCC1CN2CCC34C(=NC5=CC=CC=C53)CC1CC24

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InChI: InChI=1S/C18H22N2/c1-2-12-11-20-8-7-18-14-5-3-4-6-15(14)19-16(18)9-13(12)10-17(18)20/h3-6,12-13,17H,2,7-11H2,1H3

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InChIKey: XIISKYLRNHKDPN-UHFFFAOYSA-N

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Reference

PubChem CID: 12444561

COCONUT: CNP0214591.1

Properties Information

Molecule Weight: 266.388

TPSA: 15.6

MolLogP: 3.534600000000003

Number of H-Donors: 0

Number of H-Acceptors: 2

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information