Inandenin-13-one; 13-Alcohol

AlkaPlorer ID: AK302400

Synonym: Inandenin-13-ol

IUPAC Name: 5-(4-aminobutyl)-14-hydroxy-1,5-diazacyclohenicosan-6-one

Structure

SMILES: NCCCCN1CCCNCCCCCCCC(O)CCCCCCCC1=O

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InChI: InChI=1S/C23H47N3O2/c24-17-10-12-20-26-21-13-19-25-18-11-6-2-4-8-15-22(27)14-7-3-1-5-9-16-23(26)28/h22,25,27H,1-21,24H2

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InChIKey: XPTYKXPCPFHDGN-UHFFFAOYSA-N

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Reference

PubChem CID: 15215101

CAS: 29579-86-0

Properties Information

Molecule Weight: 397.64800000000025

TPSA: 78.59

MolLogP: 3.979400000000002

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information