Basic information
- CAS
100347-59-9- Standard SMILES
CCOC(=O)c1c(C)oc2c(CN(C)C)c(O)ccc12.O=C(O)C(O)C(O)C(=O)O- InChIKey
JFNTYLIADKZCEC-UHFFFAOYSA-N- Molecular formula
- C19H25NO10
- Average molar mass
- 427.4 g/mol
- Monoisotopic mass
- 427.14784599
Names & identifiers
- Preferred name
- 3-Benzofurancarboxylic acid, 7-((dimethylamino)methyl)-6-hydroxy-2-methyl-, ethyl ester, tartrate
- IUPAC
- 2,3-dihydroxybutanedioic acid;ethyl 7-[(dimethylamino)methyl]-6-hydroxy-2-methyl-1-benzofuran-3-carboxylate
Names & synonyms
100347-59-93-Benzofurancarboxylic acid, 7-((dimethylamino)methyl)-6-hydroxy-2-methyl-, ethyl ester, tartrateRefChem:276907DTXSID009054252,3-Dihydroxybutanedioic acid--ethyl 7-[(dimethylamino)methyl]-6-hydroxy-2-methyl-1-benzofuran-3-carboxylate (1/1)
Database identifiers
- CAS
100347-59-9- PubChem CID
- 57794
- DTXSID
DTXSID00905425
Properties
Computed structural properties
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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