Basic information
- CAS
63917-70-4- Standard SMILES
CCNc1ccc2c(cc1=O)C(NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2- InChIKey
QIFDIPXFLOBLRF-UHFFFAOYSA-N- Molecular formula
- C23H28N2O5
- Average molar mass
- 412.5 g/mol
- Monoisotopic mass
- 412.199822
Names & identifiers
- Preferred name
- Benzo(a)heptalen-9(5H)-one, 7-acetamido-6,7-dihydro-10-ethylamino-1,2,3-trimethoxy-
- IUPAC
- N-[10-(ethylamino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
- English name
- (S)-7-Acetylamino-6,7-dihydro-10-ethylamino-1,2,3-trimethoxybenzo[a]heptalen-9(5H)-one
- Molecular formula
- C23H28N2O5
- Molecular weight
- 412.48
Names & synonyms
EthylcolchaminoneEthylaminocolchicide63917-70-4Benzo(a)heptalen-9(5H)-one, 7-acetamido-6,7-dihydro-10-ethylamino-1,2,3-trimethoxy-RefChem:326069NSC403156CHEMBL331818DTXSID10981078NSC-40315667620-24-0N-[10-(Ethylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]ethanimidic acid(S)-7-Acetylamino-6,7-dihydro-10-ethylamino-1,2,3-trimethoxybenzo[a]heptalen-9(5H)-one
Show more names
Acetamide, N-[8-(ethylamino)-5,9,11,12-tetrahydro-2,3,4-trimethoxy-9-oxobenzo[b]heptalen-11-yl]-
Database identifiers
- CAS
63917-70-4、67620-24-0- PubChem CID
- 45313
- DTXSID
DTXSID10981078- ChEMBL
CHEMBL331818
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 757
Physicochemical properties
- Boiling point
- 711.201 · 711.201±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.229 · 1.229±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.774 · 14.774±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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