2,3,8,9-Tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium chloride
Basic information
- CAS
54785-54-5- Standard SMILES
COc1cc2c[n+](C)c3c4cc(OC)c(OC)cc4ccc3c2cc1OC.[Cl-]- InChIKey
STJJMCOJNXLYFW-UHFFFAOYSA-M- Molecular formula
- C22H22ClNO4
- Average molar mass
- 399.9 g/mol
- Monoisotopic mass
- 399.1237359
Names & identifiers
- Preferred name
- 2,3,8,9-Tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium chloride
- IUPAC
- 2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium chloride
- English name
- O-methylfagaronine
- Molecular weight
- 0
Names & synonyms
2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium chlorideNSC168201O-Methylfagaronine chloride trihydrateFAGARONINE, O-METHYLCHEMBL1967101DTXSID709701202,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium;chlorideNSC 168201NSC-168201Benzo(c)phenanthridinium, 5-methyl-2,3,8,9-tetramethoxy-, chloride, trihydrate5-Methyl-2,8,9-tetramethoxybenzo[c]phenanthridinium chlorideBenzo[c]phenanthridinium,3,8,9-tetramethoxy-5-methyl-, chloride
Show more names
O-methylfagaronine2-Methoxyfagaronine2,3,8,9-Tetramethoxy-5-methylbenzo[c]phenanthridinium
Database identifiers
- CAS
54785-54-5- PubChem CID
- 124193
- DTXSID
DTXSID70970120- ChEMBL
CHEMBL1967101
Properties
Computed structural properties
- Topological polar surface area
- 40.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 503
Physicochemical properties
- Melting point
- 303 · 303-305 °C
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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