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170727-59-0

170727-59-0 Structure

170727-59-0 Structure
IdentificationBack Directory
[Name]

Loratadine EP Impurity E
[CAS]

170727-59-0
[Synonyms]

Iso Loratadine
Loratadine HCl
loratadine imp E
Loratadine EP IMpurity E
LORATADINE HYDROCHLORIDE
Loratadine EP Impurity E (Iso Loratadine)
Loratadine Impurity 3/Loratadine EP Impurity E
Loratadine Impurity 5(Loratadine EP Impurity E)
ethyl 4-(8-chloro-6,11-dihydro-5H-benzo[1,2]cyclohepta[2,4-b]pyridin-11-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
ethyl 4-(8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-5,6-dihydropyridine-1(2H)-carboxylate
ethyl 4-(8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b] pyridin-11-yl)-3,6-dihydropyridine-1(2H)-carboxylate
4-(8-Chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-3,6-dihydro-1(2H)-pyridinecarboxylic Acid Ethyl Ester
Ethyl 4-[(11RS)-8-chloro-6,11-dihydro -5H-benzo[5,6] cyclohepta[1,2-b] pyridin-11-yl]-3,6-dihydropyridine-1(2H)-carboxylate
1(2H)-Pyridinecarboxylic acid, 4-(8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-3,6-dihydro-, ethyl ester
[EINECS(EC#)]

607-884-2
[Molecular Formula]

C22H23ClN2O2
[MDL Number]

MFCD08458371
[MOL File]

170727-59-0.mol
[Molecular Weight]

382.88
Chemical PropertiesBack Directory
[Melting point ]

>50°C (dec.)
[Boiling point ]

512.6±50.0 °C(Predicted)
[density ]

1.253±0.06 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

Chloroform (Sparingly), Methanol (Slightly)
[form ]

Solid
[pka]

5.09±0.40(Predicted)
[color ]

Off-White to Light Red
[Major Application]

pharmaceutical
[InChI]

InChI=1S/C22H23ClN2O2/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/h3-4,7-9,11,14,20H,2,5-6,10,12-13H2,1H3
[InChIKey]

ZORGYPXITGWTSB-UHFFFAOYSA-N
[SMILES]

C1N(C(OCC)=O)CC=C(C2C3=NC=CC=C3CCC3=CC(Cl)=CC=C32)C1
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Chronic 4
Hazard InformationBack Directory
[Chemical Properties]

Low Melting Pink Solid
[Uses]

Loratadine (L469575) impurity, Loratadine EP Impurity E can be used as an isomer of Loratadine used for preparation of tricyclic amides and ureas useful for inhibition of G-protein function and for treatment of proliferative diseases.
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