Basic information
- CAS
60734-40-9- Standard SMILES
COc1cc2c(cc1OC)C(C(=O)O)C1c3cc4c(cc3CCN1C2=O)OCO4- InChIKey
YVZNWMLYFZMRGB-UHFFFAOYSA-N- Molecular formula
- C21H19NO7
- Average molar mass
- 397.4 g/mol
- Monoisotopic mass
- 397.11615195
Names & identifiers
- Preferred name
- 17,18-Dimethoxy-14-oxo-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15,17,19-hexaene-21-carboxylic acid
- IUPAC
- 17,18-dimethoxy-14-oxo-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15,17,19-hexaene-21-carboxylic acid
Names & synonyms
NSC27635360734-40-9NSC276354dimethoxy(oxo)[?]carboxylic acidDTXSID90976205NSC-276353NSC-27635460734-41-010,11-Dimethoxy-8-oxo-5,8,13,13a-tetrahydro-2H,6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline-13-carboxylic acid10,11-Dimethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline-13-carboxylic acid
Database identifiers
- CAS
60734-40-9、60734-41-0- PubChem CID
- 321863
- DTXSID
DTXSID90976205
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 671
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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