14-Hydroxygelsenicine

Base Information

• Chemical Name: 14-Hydroxygelsenicine
• CAS No.: 114027-39-3
• Molecular Formula: C19H22N2O4
• Molecular Weight: 342.39
• ChEMBL ID: CHEMBL496074
• DSSTox Substance ID: DTXSID501314738
• Nikkaji Number: J1.924.211K
• Wikidata: Q104996963
• Mol file: 114027-39-3.mol

Synonyms:humantendine;humantenidine

Chemical Property of 14-Hydroxygelsenicine

Chemical Property:

• Boiling Point: 513.3±60.0 °C(Predicted)
• PKA: 13.52±0.40(Predicted)
• PSA: 71.36000
• Density: 1.53±0.1 g/cm3(Predicted)
• LogP: 0.96200
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 342.15795719
• Heavy Atom Count: 25
• Complexity: 623

Purity/Quality:

98%,99%, ^*data from raw suppliers

Humantenidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NC2CC3(C4C(C1C2CO4)O)C5=CC=CC=C5N(C3=O)OC
• Isomeric SMILES: CCC1=N[C@H]2C[C@@]3([C@H]4[C@@H]([C@@H]1[C@@H]2CO4)O)C5=CC=CC=C5N(C3=O)OC