Basic information
- CAS
138143-47-2- Standard SMILES
CCOC(=O)CC(Cc1cncn1C)C(CC)C(=O)OCc1ccc(COC(=O)C(CC)C(CC(=O)OCC)Cc2cncn2C)cc1- InChIKey
AHWKLYAVMFNLNG-UHFFFAOYSA-N- Molecular formula
- C36H50N4O8
- Average molar mass
- 666.8 g/mol
- Monoisotopic mass
- 666.36286457
Names & identifiers
- Preferred name
- O,O'-Dipropionyl-1,4-xylylenebis(pilocarpate)
- IUPAC
- 1-O-[[4-[[5-ethoxy-2-ethyl-3-[(3-methylimidazol-4-yl)methyl]-5-oxopentanoyl]oxymethyl]phenyl]methyl] 5-O-ethyl 2-ethyl-3-[(3-methylimidazol-4-yl)methyl]pentanedioate
Names & synonyms
138143-47-2O,O'-Dipropionyl-1,4-xylylenebis(pilocarpate)DTXSID109299951,1'-Diethyl 5,5'-[1,4-phenylenebis(methylene)] bis{4-ethyl-3-[(1-methyl-1H-imidazol-5-yl)methyl]pentanedioate}1H-Imidazole-5-butanoic acid, alpha-ethyl-1-methyl-beta-((1-oxopropoxy)methyl)-, 1,4-phenylenebis(methylene) ester, (alphaS-(alphaR*(alpha'R*,beta'S*),betaS*))-
Database identifiers
- CAS
138143-47-2- PubChem CID
- 86239
- DTXSID
DTXSID10929995
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 24
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 928
Experimental & physicochemical properties
LogP4.08
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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