O-Methylfagaronine
Basic information
- CAS
51116-32-6- Standard SMILES
COc1cc2c[n+](C)c3c4cc(OC)c(OC)cc4ccc3c2cc1OC- InChIKey
XBPUQLWKZKQIEP-UHFFFAOYSA-N- Molecular formula
- C22H22NO4+
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.15488318
Overview
benzyl-phenanthridine from root of Fagara zanthoxyloides
Names & identifiers
- Preferred name
- O-Methylfagaronine
- IUPAC
- 2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium
Names & synonyms
O-MethylfagaronineZC8A99XGG4O-methyl-fagaronineRefChem:16725554785-54-52,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridiniumNCI60_001331CHEMBL487600SCHEMBL13839324BDBM32633NCI60_001504
Show more names
Benzo[c]phenanthridinium, 2,3,8,9-tetramethoxy-5-methyl-51116-32-6
Database identifiers
- CAS
51116-32-6- PubChem CID
- 39898
- ChEMBL
CHEMBL487600- UNII
- ZC8A99XGG4
- Nikkaji
- J423.233J
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 40.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 1
- Complexity
- 503
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…