Berberine deriv jci 2223
Basic information
- CAS
81548-58-5- Standard SMILES
COC(=O)c1ccc(OC)c(OC)c1-c1c(C(=O)OC)c(C(=O)OC)c2n1CCc1cc3c(cc1-2)OCO3- InChIKey
ZPMGZHXBIVBJEA-UHFFFAOYSA-N- Molecular formula
- C27H25NO10
- Average molar mass
- 523.5 g/mol
- Monoisotopic mass
- 523.14784599
Names & identifiers
- Preferred name
- Berberine deriv jci 2223
- IUPAC
- dimethyl 3-(2,3-dimethoxy-6-methoxycarbonylphenyl)-5,6-dihydro-[1,3]benzodioxolo[5,6-g]indolizine-1,2-dicarboxylate
Names & synonyms
NSC32612981548-58-5BERBERINE DERIV JCI 2223DTXSID00318091NSC-326129Dimethyl 3-[2,3-dimethoxy-6-(methoxycarbonyl)phenyl]-5,6-dihydro-9H-[1,3]dioxolo[4,5-g]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
Database identifiers
- CAS
81548-58-5- PubChem CID
- 331674
- DTXSID
DTXSID00318091
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 899
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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