Basic information
- CAS
6962-03-4- Standard SMILES
CCN(CC)c1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2- InChIKey
VBJDWXFOMWSFLB-IBGZPJMESA-N- Molecular formula
- C25H32N2O5
- Average molar mass
- 440.5 g/mol
- Monoisotopic mass
- 440.23112213
Names & identifiers
- Preferred name
- Colchicine, 10-demethoxy-10-(diethylamino)-
- IUPAC
- N-[(7S)-10-(diethylamino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Names & synonyms
10-Demethoxy-10-(diethylamino)colchicineBRN 3180742COLCHICINE, 10-DEMETHOXY-10-(DIETHYLAMINO)-6962-03-4DTXSID502198874-14-00-00924 (Beilstein Handbook Reference)RefChem:334301DTXCID00142378N-[(7S)-10-(diethylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamideNSC33690CHEMBL420597NSC-33690
Show more names
STL542372AKOS002142032Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3-trimethoxy-(S)-N-(10-(diethylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
Database identifiers
- CAS
6962-03-4- PubChem CID
- 23398
- DTXSID
DTXSID50219887- ChEMBL
CHEMBL420597- Nikkaji
- J67.642J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 798
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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