Basic information
- CAS
109537-11-3- Standard SMILES
CCOC(=O)N1CCC(=C2c3cc(Cl)ccc3CCc3cccnc32)CC1- InChIKey
BTRWFDJXJHWGSK-UHFFFAOYSA-N- Molecular formula
- C22H23ClN2O2
- Average molar mass
- 382.9 g/mol
- Monoisotopic mass
- 382.1448057
Names & identifiers
- Preferred name
- 8-Dechloro-9-chloro Loratadine
- IUPAC
- ethyl 4-(14-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate
- English name
- 8-Dechloro-9-chloro Loratadine
- Molecular formula
- C22H23ClN2O2
- Molecular weight
- 382.88
Names & synonyms
8-Dechloro-9-chloro Loratadine109537-11-3Loratadine Impurity 29ethyl 4-(14-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylateEthyl 4-(9-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylateethyl 4-(9-chloro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11(6H)-ylidene)piperidine-1-carboxylateDTXSID10546060AS-85205G90885Loratadine Impurity 19Desloratadine Impurity 31ethyl 4-(9-chloro-5H-benzo
Show more names
Loratadine 8-Dechloro-9-Chloro ImpurityEthyl 4-(9-Chloro-5,6-dihydro-11H-benzo[5,6] cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxyate4-(9-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylic Acid Ethyl Ester1-Piperidinecarboxylic acid, 4-(9-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-, ethyl ester
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 569
Physicochemical properties
- Melting point
- 140 · 140-143 °C(Solvent: Diisopropyl ether)
- Boiling point
- 531.336 · 531.336±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.261 · 1.261±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.201 · 4.201±0.20(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesLoratadine (L469575) impurity.
Suppliers33 total
天津始加生物医药科技有限公司15022261580 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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