ChemicalBook--->CAS DataBase List--->609806-40-8

609806-40-8

609806-40-8 Structure

609806-40-8 Structure
IdentificationBack Directory
[Name]

4-Hydroxymethyl Loratadine
[CAS]

609806-40-8
[Synonyms]

Loratadine 4-Hydroxymethyl Impurity (USP)
4-[8-Chloro-5,6-dihydro-4-(hydroxymethyl)-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene]-1-piperidinecarboxylic Acid Ethyl Este
4-[8-Chloro-5,6-dihydro-4-(hydroxymethyl)-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene]-1-piperidinecarboxylic Acid Ethyl Ester
[Molecular Formula]

C23H25ClN2O3
[MOL File]

609806-40-8.mol
[Molecular Weight]

412.914
Chemical PropertiesBack Directory
[Appearance]

Light-Yellow Solid
[Melting point ]

73-75°C
[Boiling point ]

594.2±50.0 °C(Predicted)
[density ]

1.301±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Solid
[pka]

13.56±0.10(Predicted)
[color ]

Pale Yellow
[Stability:]

Hygroscopic
[InChI]

InChI=1S/C23H25ClN2O3/c1-2-29-23(28)26-11-8-15(9-12-26)21-19-6-4-18(24)13-16(19)3-5-20-17(14-27)7-10-25-22(20)21/h4,6-7,10,13,27H,2-3,5,8-9,11-12,14H2,1H3
[InChIKey]

BCKYTUFUNAGTDV-UHFFFAOYSA-N
[SMILES]

N1(C(OCC)=O)CC/C(=C2\C3=NC=CC(CO)=C3CCC3=CC(Cl)=CC=C3\2)/CC1
Hazard InformationBack Directory
[Chemical Properties]

Light-Yellow Solid
[Uses]

A usual impurity in Loratadine syrup formulations, a nonsedating-type histamine H1-receptor
[Definition]

ChEBI: 4-Hydroxymethyl Loratadine is a benzocycloheptapyridine.
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