2H-Indol-2-one, 1,3-dihydro-3-methoxy-1-(3-morpholinopropyl)-, fumarate, hemihydrate (2:2:1)
Basic information
- CAS
42773-70-6- Standard SMILES
COC1(c2ccccc2)C(=O)N(CCC[NH+]2CCOCC2)c2ccccc21.O=C([O-])/C=C/C(=O)O- InChIKey
NUKJGXSKYBKCGF-WLHGVMLRSA-N- Molecular formula
- C26H30N2O7
- Average molar mass
- 482.5 g/mol
- Monoisotopic mass
- 482.2053013
Names & identifiers
- Preferred name
- 2H-Indol-2-one, 1,3-dihydro-3-methoxy-1-(3-morpholinopropyl)-, fumarate, hemihydrate (2:2:1)
- IUPAC
- (E)-4-hydroxy-4-oxobut-2-enoate;3-methoxy-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenylindol-2-one
Names & synonyms
2H-Indol-2-one, 1,3-dihydro-3-methoxy-1-(3-morpholinopropyl)-, fumarate, hemihydrate (2:2:1)42773-70-6RefChem:10652611,3-Dihydro-3-methoxy-1-(3-morpholinopropyl)-2H-indol-2-one fumarate hydrate
Database identifiers
- CAS
42773-70-6- PubChem CID
- 6434348
Properties
Computed structural properties
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 631
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…