Basic information
- CAS
64246-01-1- Standard SMILES
O=C(O)CC(O)(CC(=O)O)C(=O)O.c1cc2c(cc1OCC(COc1ccc3c(c1)OCO3)N1CCCC1)OCO2- InChIKey
PSLPHELFEITGIC-UHFFFAOYSA-N- Molecular formula
- C27H31NO13
- Average molar mass
- 577.5 g/mol
- Monoisotopic mass
- 577.17954004
Names & identifiers
- Preferred name
- Pyrrolidine, 1-(1,3-bis(3,4-(methylenedioxy)phenoxy)-2-propyl)-, citrate
- IUPAC
- 1-[1,3-bis(1,3-benzodioxol-5-yloxy)propan-2-yl]pyrrolidine;2-hydroxypropane-1,2,3-tricarboxylic acid
Names & synonyms
Pyrrolidine, 1-(1,3-bis(3,4-(methylenedioxy)phenoxy)-2-propyl)-, citrate1-(1,3-Bis(3,4-(methylenedioxy)phenoxy)-2-propyl)pyrrolidine citrate64246-01-1DTXSID902144521,3-Bis-(3,4-metilendiossifenossi)-2-pirrolidinopropano citrato [Italian]1,3-Bis-(3,4-metilendiossifenossi)-2-pirrolidinopropano citratoRefChem:377924DTXCID901369432-Hydroxypropane-1,2,3-tricarboxylic acid--1-{1,3-bis[(2H-1,3-benzodioxol-5-yl)oxy]propan-2-yl}pyrrolidine (1/1)
Database identifiers
- CAS
64246-01-1- PubChem CID
- 3049005
- DTXSID
DTXSID90214452
Properties
Computed structural properties
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 12
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 693
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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