Basic information
- CAS
129297-21-8- Standard SMILES
Nc1c2c(nc3cccc(F)c13)C1CC(C2)C1.Nc1c2c(nc3cccc(F)c13)C1CC(C2)C1.Nc1c2c(nc3cccc(F)c13)C1CC(C2)C1.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
VHIZLRDZOSUTLU-UHFFFAOYSA-N- Molecular formula
- C54H55F3N6O14
- Average molar mass
- 1,069 g/mol
- Monoisotopic mass
- 1,068.37283494
Overview
structure given in first source
Names & identifiers
- Preferred name
- 9-Amino-8-fluoro-1,2,3,4-tetrahydro-2,4-methanoacridine
- IUPAC
- tris(8-fluoro-3-azatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-10-amine);bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
- English name
- 9-amino-8-fluoro-1,2,3,4-tetrahydro-2,4-methanoacridine
- Molecular weight
- 0
Names & synonyms
129297-21-89-Amino-8-fluoro-1,2,3,4-tetrahydro-2,4-methanoacridine2,4-Methanoacridin-9-amine, 8-fluoro-1,2,3,4-tetrahydro-, 2-hydroxy-1,2,3-propanetricarboxylate (3:2)RefChem:107738SCHEMBL194879DTXSID909263662-Hydroxypropane-1,2,3-tricarboxylic acid--8-fluoro-1,2,3,4-tetrahydro-2,4-methanoacridin-9-amine (2/3)
Database identifiers
- CAS
129297-21-8- PubChem CID
- 196829
- DTXSID
DTXSID90926366
Properties
Computed structural properties
- Topological polar surface area
- 381 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 10
- Heavy atoms
- 77
- Formal charge
- 0
- Complexity
- 543
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…