Basic information
- CAS
509-35-3- Standard SMILES
COc1cc2c(cc1OC)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5CC43.Cc1ccc(F)c(-c2c(C(=O)O)cccc2[N+](=O)[O-])c1- InChIKey
DXEGJTYBKCIRGJ-UHFFFAOYSA-N- Molecular formula
- C37H36FN3O8
- Average molar mass
- 669.7 g/mol
- Monoisotopic mass
- 669.24864328
Names & identifiers
- Preferred name
- 10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;2-(2-fluoro-5-methylphenyl)-3-nitrobenzoic acid
- IUPAC
- 10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;2-(2-fluoro-5-methylphenyl)-3-nitrobenzoic acid
Names & synonyms
509-35-3NSC159615DTXSID10965136NSC-1596152'-Fluoro-5'-methyl-6-nitro[1,1'-biphenyl]-2-carboxylic acid--2,3-dimethoxystrychnidin-10-one (1/1)
Database identifiers
- CAS
509-35-3- PubChem CID
- 293268
- DTXSID
DTXSID10965136
Properties
Computed structural properties
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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