Basic information
- CAS
41349-33-1- Standard SMILES
COc1cc2c(cc1OC)C(OC)N(C)c1c-2ccc2cc3c(cc12)OCO3- InChIKey
SZEOMBMBHCBJJE-UHFFFAOYSA-N- Molecular formula
- C22H21NO5
- Average molar mass
- 379.4 g/mol
- Monoisotopic mass
- 379.14197277
Names & identifiers
- Preferred name
- Nitidine pseudomethanolate
- IUPAC
- 2,3,13-trimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine
Names & synonyms
Nitidine pseudomethanolateRefChem:109243613-Methoxydihydronitidine5,6-Dihydro-6-methoxynitidine41349-33-1NSC146396Nitidine, methoxydihydro-NSC 146396BRN 0582405NITIDINE, METHOXYDIHYDRO[1,6-c]phenanthridine, 12,13-dihydro-2,3,13-trimethoxy-12-methyl-2,3,13-trimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine
Show more names
Neuro_000080(1,3)Benzodioxolo(5,6-c)phenanthridine, 12,13-dihydro-12-methyl-2,3,13-trimethoxy-12,13-Dihydro-12-methyl-2,3,13-trimethoxy-(1,3)benzodioxolo(5,6-c)phenanthridineCHEMBL488612SCHEMBL13103359SCHEMBL31237541SCHEMBL39202428NSC147789
Database identifiers
- CAS
41349-33-1- PubChem CID
- 38845
- ChEMBL
CHEMBL488612
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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