Trimethylcolchicinic acid ethyl ether
Basic information
- CAS
36191-20-5- Standard SMILES
CCOc1ccc2c(cc1=O)C(N)CCc1cc(OC)c(OC)c(OC)c1-2.CCOc1ccc2c(cc1=O)C(N)CCc1cc(OC)c(OC)c(OC)c1-2.O=C(O)C(O)C(O)C(=O)O- InChIKey
DOWDLLJRHIDJGI-UHFFFAOYSA-N- Molecular formula
- C46H56N2O16
- Average molar mass
- 892.9 g/mol
- Monoisotopic mass
- 892.3629837
Names & identifiers
- Preferred name
- Trimethylcolchicinic acid ethyl ether
- IUPAC
- bis(7-amino-10-ethoxy-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one);2,3-dihydroxybutanedioic acid
Names & synonyms
36191-20-5Trimethylcolchicinic acid ethyl etherDTXSID30957593(S)-7-Amino-10-ethoxy-6,7-dihydro-1,2,3-trimethoxybenazo(a)heptalen-9(5H)-oneBenazo(a)heptalen-9(5H)-one, 7-amino-10-ethoxy-6,7-dihydro-1,2,3-trimethoxy-, (S)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1)2,3-Dihydroxybutanedioic acid--7-amino-10-ethoxy-1,2,3-trimethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-one (1/2)
Database identifiers
- CAS
36191-20-5- PubChem CID
- 169757
- DTXSID
DTXSID30957593
Properties
Computed structural properties
- Topological polar surface area
- 275 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 13
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 787
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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