Basic information
- CAS
70096-14-9- Standard SMILES
CC(C)NCC(O)COC1c2ccccc2C(=O)N1c1ccccc1.O=C(O)CCC(=O)O- InChIKey
YTFSIJBIBVOXOB-UHFFFAOYSA-N- Molecular formula
- C24H30N2O7
- Average molar mass
- 458.5 g/mol
- Monoisotopic mass
- 458.2053013
Names & identifiers
- Preferred name
- Einecs 274-314-3
- IUPAC
- butanedioic acid;3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one
Names & synonyms
70096-14-9EINECS 274-314-3DTXSID50990341YTFSIJBIBVOXOB-UHFFFAOYSA-N(R*,S*)-(1)-2,3-Dihydro-3-(2-hydroxy-3-(isopropylamino)propoxy)-2-phenyl-1H-isoindol-1-one fumarateButanedioic acid--3-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}-2-phenyl-2,3-dihydro-1H-isoindol-1-one (1/1)
Database identifiers
- CAS
70096-14-9- PubChem CID
- 50971
- DTXSID
DTXSID50990341- EC Number
- 274-314-3
Properties
Computed structural properties
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 529
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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