Longicaudatine; N4-Oxide 

AlkaPlorer ID: AK304612

Synonym: Longicaudatine N-oxide 

IUPAC Name: None

Structure

SMILES: CC=C1CN2CCC3=C(NC4=CC=CC=C34)C2CC1C1=CN2C3=CC=CC=C3C34CC[N+]5([O-])CC6=CCOC1C(C6CC35)C24

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InChI: InChI=1S/C38H40N4O2/c1-2-22-19-40-14-11-25-24-7-3-5-9-30(24)39-35(25)32(40)17-26(22)28-20-41-31-10-6-4-8-29(31)38-13-15-42(43)21-23-12-16-44-36(28)34(37(38)41)27(23)18-33(38)42/h2-10,12,20,26-27,32-34,36-37,39H,11,13-19,21H2,1H3

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InChIKey: ASMIZSZGIOMPDZ-UHFFFAOYSA-N

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Reference

CAS: 91377-16-1

Properties Information

Molecule Weight: 584.7640000000004

TPSA: 54.56

MolLogP: 6.119200000000006

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 11

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information