Basic information
- Standard SMILES
c1ccc2c(c1)CCc1ccccc1C2=C1CCNCC1- InChIKey
WODOUWGGUWAIBD-UHFFFAOYSA-N- Molecular formula
- C20H21N
- Average molar mass
- 275.4 g/mol
Names & identifiers
- Preferred name
- Desloratadine impurity 24
- IUPAC
- 4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidine
Names & synonyms
DESLORATADINE IMPURITY 2450603-12-84-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)piperidine4-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)piperidineWODOUWGGUWAIBD-UHFFFAOYSA-NAE-641/40197884MLS001178427SCHEMBL6178102CHEMBL1567072SCHEMBL31350956AKOS005064154SMR000475952
Show more names
G875434-(10,11-dihydro-5-dibenzo[a,d]cycloheptenylidene)piperidine10,11-dihydro-5-(4-piperidylidene)-5h-dibenzo[a,d]cycloheptene4-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-piperidine4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidine
Database identifiers
- PubChem CID
- 1201458
- ChEMBL
CHEMBL1567072
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 363
Experimental & physicochemical properties
Solubility30.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
12 records
Compound notes
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