| CAS Number | 133330-56-0 |
| Catalog Number | AG01E15M(AGN-PC-0PK07J) |
| Chemical Name | Loratadine impurity I |
| IUPAC Name | ethyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-ylidene)piperidine-1-carboxylate |
| InChI | InChI=1S/C22H21ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-8,11,14H,2,9-10,12-13H2,1H3 |
| InChI Key | NNEKZPHQSXPSRP-UHFFFAOYSA-N |
| MDL Number | MFCD16661213 |
| Molecular Formula | C22H21ClN2O2 |
| Molecular Weight | 380.8673 |
| SMILES | ClC1=CC(C=CC2=C/3N=CC=C2)=C(C=C1)C3=C4CCN(C(OCC)=O)CC4 |
| Synonyms | LORATADINE IMPURITY I,
SCHEMBL6181109,
133330-56-0,
|
| Complexity | 607 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 380.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 380.872g/mol |
| Monoisotopic Mass | 380.129g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number