Basic information
- CAS
51116-33-7- Standard SMILES
COS(=O)(=O)[O-].COc1cc2c[n+](C)c3c4cc(OC)c(OC)cc4ccc3c2cc1OC- InChIKey
STFXOYYCVIFLIF-UHFFFAOYSA-M- Molecular formula
- C23H25NO8S
- Average molar mass
- 475.5 g/mol
- Monoisotopic mass
- 475.13008793
Names & identifiers
- Preferred name
- BENZO(c)PHENANTHRIDINIUM, 5-METHYL-2,3,8,9-TETRAMETHOXY-, METHYL SULFATE
- IUPAC
- methyl sulfate;2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium
Names & synonyms
O-Methylfagaronine methosulfate51116-33-7BENZO(c)PHENANTHRIDINIUM, 5-METHYL-2,3,8,9-TETRAMETHOXY-, METHYL SULFATENSC-166720NSC 166720methyl sulfate; 2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-iumBenzo(c)phenanthridinium, 2,3,8,9-tetramethoxy-5-methyl-, methylA7KZW8TML4DTXSID90199134NSC166720methyl sulfate;2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium2,3,8,9-Tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium methyl sulfate
Show more names
Benzo[c]phenanthridinium, 2,3,8,9-tetramethoxy-5-methyl-, methyl sulfateBenzo[c]phenanthridinium,3,8,9-tetramethoxy-5-methyl-, methyl sulfateBenzo[c]phenanthridinium, 2,3,8,9-tetramethoxy-5-methyl-, methyl sulfate (1:1)
Database identifiers
- CAS
51116-33-7- PubChem CID
- 39897
- DTXSID
DTXSID90199134- UNII
- A7KZW8TML4
Properties
Computed structural properties
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 593
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…