Basic information
- CAS
1096-72-6- Standard SMILES
CN1CCC(OC2c3ccccc3CCc3ccccc32)CC1- InChIKey
MNIZCABHARMLFF-UHFFFAOYSA-N- Molecular formula
- C21H25NO
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.19361442
Overview
Hepzidine is a small molecule drug. Hepzidine has a monoisotopic molecular weight of 307.19 Da.
Names & identifiers
- Preferred name
- Hepzidine
- IUPAC
- 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperidine
- English name
- Hepzidine
- Molecular weight
- 0
Names & synonyms
Hepzidine1096-72-6HepzidinHepzidinaHepzidine [INN]1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperidine72FH6333M64-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yloxy)-1-methylpiperidineHepzidinumUNII-72FH6333M6CHEMBL522580orb2814905
Show more names
4-[(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-1-methylpiperidine
SCHEMBL1695373DTXSID20883195BDBM50413510NS00123518T202807Q57321364-[(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yl)oxy]-1-methylpiperidine
Database identifiers
- CAS
1096-72-6- PubChem CID
- 70593
- DTXSID
DTXSID20883195- ChEMBL
CHEMBL522580- UNII
- 72FH6333M6
- Nikkaji
- J7.256G
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- FDA UNII
- 72 FH6333M6 · 72FH6333M6
Chemistry & industry
Applications
UsesHepzidine (compound 40) is a novel nicotinic acetylcholine receptor (nAChR) ligand. Hepzidine can bind to AChBP. Hepzidine can be used in neuro-related research[1].
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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