N-Desacetyl-N-adamantoylthiocolchicine
Basic information
- CAS
60864-99-5- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)C13CC4CC(CC(C4)C1)C3)CC2- InChIKey
XZCAOCHCMOFVSD-QNIFSHABSA-N- Molecular formula
- C31H37NO5S
- Average molar mass
- 535.7 g/mol
- Monoisotopic mass
- 535.23924445
Names & identifiers
- Preferred name
- N-Desacetyl-N-adamantoylthiocolchicine
- IUPAC
- N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]adamantane-1-carboxamide
Names & synonyms
N-Desacetyl-N-adamantoyl-thiocolchicineN-Desacetyl-N-adamantoyl-thiocolchicine [French]N-Desacetyl-N-adamantoylthiocolchicineTricyclo(3.3.1.1(sup 3,7))decane-1-carboxamide, N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-DTXSID00209713RefChem:363836DTXCID5013220460864-99-5N-[(7S)-1,2,3-Trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]adamantane-1-carboxamide
Database identifiers
- CAS
60864-99-5- PubChem CID
- 64414
- DTXSID
DTXSID00209713
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,020
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…