Basic information
- CAS
7083-24-1- Standard SMILES
CC(Cn1cccc1C(=O)Cc1ccccc1)[NH+](C)C.O=C(O)CC(O)(CC(=O)O)C(=O)[O-]- InChIKey
FYKLBBZCEZQDEP-UHFFFAOYSA-N- Molecular formula
- C23H30N2O8
- Average molar mass
- 462.5 g/mol
- Monoisotopic mass
- 462.20021592
Names & identifiers
- Preferred name
- Ketone, benzyl 1-(2-(dimethylamino)propyl)pyrrol-2-yl, citrate
- IUPAC
- 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;dimethyl-[1-[2-(2-phenylacetyl)pyrrol-1-yl]propan-2-yl]azanium
Names & synonyms
1-(2-(Dimethylamino)propyl)-2-(phenylacetyl)pyrrole citrate7083-24-1KETONE, BENZYL 1-(2-(DIMETHYLAMINO)PROPYL)PYRROL-2-YL, CITRATERefChem:350441
Database identifiers
- CAS
7083-24-1- PubChem CID
- 23486
Properties
Computed structural properties
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 532
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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