Basic information
- CAS
93859-68-8- Standard SMILES
COc1ccc2c(c1OC)CN(C)[C@]13ON(c4ccccc4)[C@H](C[C@]21C)c1cc2c(cc13)OCO2- InChIKey
GYDYHCGLFSAWNI-MWVDVNALSA-N- Molecular formula
- C28H28N2O5
- Average molar mass
- 472.5 g/mol
- Monoisotopic mass
- 472.199822
Names & identifiers
- Preferred name
- Nitidine deriv
- IUPAC
- (1S,10R,12R)-5,6-dimethoxy-2,10-dimethyl-23-phenyl-16,18,22-trioxa-2,23-diazahexacyclo[10.9.2.01,10.04,9.013,21.015,19]tricosa-4(9),5,7,13,15(19),20-hexaene
Names & synonyms
NSC34267593859-68-8NITIDINE DERIVDTXSID00319240NSC-342675(4bR,6R,11bS)-1,2-Dimethoxy-4b,12-dimethyl-15-phenyl-5,6,12,13-tetrahydro-4bH,9H-11b,6-(epoxyimino)[1,3]benzodioxolo[5,6-c]phenanthridine
Database identifiers
- CAS
93859-68-8- PubChem CID
- 334971
- DTXSID
DTXSID00319240
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 808
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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