Basic information
- CAS
6788-02-9- Standard SMILES
COC1=CC2=CCC(=NC(C)=O)C3=CC(=O)C4(OC)C=CC3(O4)C2C(OC)=C1OC- InChIKey
YOEMNGTWNPPXCM-UZQPLGKSSA-N- Molecular formula
- C22H23NO7
- Average molar mass
- 413.4 g/mol
- Monoisotopic mass
- 413.14745207
Names & identifiers
- Preferred name
- Colchicine, oxo-
- IUPAC
- N-(3,4,5,14-tetramethoxy-13-oxo-17-oxatetracyclo[12.2.1.01,11.02,7]heptadeca-3,5,7,11,15-pentaen-10-ylidene)acetamide
- English name
- N-[(7S)-6,7,9,10-Tetrahydro-1,2,3,10-tetramethoxy-9-oxo-5H-10α,12aα-epoxybenzo[a]heptalen-7-yl]acetamide
- Molecular formula
- C22H25NO7
- Molecular weight
- 415.44
Names & synonyms
Colchicine, oxo-6788-02-9OxycolchicineN-[(7S)-6,7,9,10-Tetrahydro-1,2,3,10-tetramethoxy-9-oxo-5H-10α,12aα-epoxybenzo[a]heptalen-7-yl]acetamideAcetamide, N-(6,7,9,10-tetrahydro-1,2,3,10-tetramethoxy-9-oxo-5H-10,12a-epoxybenzo[a]heptalen-7-yl)-, (7S,10R,12aS)- (9CI)
Database identifiers
- CAS
6788-02-9- PubChem CID
- 23233
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 1,010
Physicochemical properties
- Melting point
- 274 · 274-276 °C
- Boiling point
- 645.4 · 645.4±55.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 14.7 · 14.70±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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