Basic information
- CAS
76265-65-1- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(OC)cc1[C@@H](N(C)C=O)CC2- InChIKey
YDDHRDUVACCOFZ-INIZCTEOSA-N- Molecular formula
- C22H25NO6
- Average molar mass
- 399.4 g/mol
- Monoisotopic mass
- 399.16818752
Names & identifiers
- Preferred name
- N-Formylisodemecolcine
- IUPAC
- N-methyl-N-[(7S)-1,2,3,9-tetramethoxy-10-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide
Names & synonyms
NSC31702476265-65-1N-FormylisodemecolcineCHEMBL315552DTXSID50317498NSC-317024N-Methyl-N-[(7S)-1,2,3,9-tetramethoxy-10-oxo-5,6,7,10-tetrahydrobenzo[a]heptalen-7-yl]formamide
Database identifiers
- CAS
76265-65-1- PubChem CID
- 330190
- DTXSID
DTXSID50317498- ChEMBL
CHEMBL315552
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 727
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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