Basic information
- CAS
522-06-5- Standard SMILES
COc1c2ccoc2nc2c(OC)c3c(cc12)OCO3- InChIKey
IMJCEVWDXKCHOI-UHFFFAOYSA-N- Molecular formula
- C14H11NO5
- Average molar mass
- 273.24 g/mol
- Monoisotopic mass
- 273.06372245
Overview
Flindersiamine is an organic heterotricyclic compound, an organonitrogen heterocyclic compound and an oxacycle.
Names & identifiers
- Preferred name
- Flindersiamine
- IUPAC
- 8,16-dimethoxy-4,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaene
- English name
- Flindersiamine
- Molecular formula
- C14H11NO5
- Molecular weight
- 273.24
Names & synonyms
FlindersiamineFlindersiamin522-06-56Q8RKP20394,9-Dimethoxy-1,3-dioxolo(4,5-g)furo(2,3-b)quinolineNSC-2846841,3-Dioxolo(4,5-g)furo(2,3-b)quinoline, 4,9-dimethoxy-DTXSID402002298,16-dimethoxy-4,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaene1,3-Dioxolo[4,5-g]furo[2,3-b]quinoline, 4,9-dimethoxy-8,16-dimethoxy-4,12,14-trioxa-2-azatetracyclo(7.7.0.03,7.011,15)hexadeca-1(16),2,5,7,9,11(15)-hexaeneRefChem:140707
Show more names
DTXCID90122720(2R)-2-amino-3-(((2R)-2-amino-2-carboxy-ethyl)sulfanylmethylsulfanyl)propanoic acidCCRIS 3581NSC 284684BRN 02891584-27-00-06802 (Beilstein Handbook Reference)UNII-6Q8RKP2039CHEBI:5093
Database identifiers
- CAS
522-06-5- PubChem CID
- 68221
- DTXSID
DTXSID40200229- ChEMBL
CHEMBL503519- ChEBI
CHEBI:5093- UNII
- 6Q8RKP2039
- Nikkaji
- J122.156F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 63 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- FDA UNII
- 6 Q8RKP2039 · 6Q8RKP2039
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Additional notes
DefinitionChEBI: Flindersiamine is an oxacycle, an organonitrogen heterocyclic compound and an organic heterotricyclic compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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