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Loratadine specified impurity F

CAT: 0931-T20814-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T20814-01Size:25 mg
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CAS Number
125743-80-8
Target
Others
Related Pathways
Others
Bioactivity
Loratadine specified impurity F is a fluorinated analog of Loratadine.
Smiles
O=C(OCC)N1CCC(CC1)C2(F)C3=NC=CC=C3CCC4=CC(Cl)=CC=C42
Molecular Formula
C22H24ClFN2O2
Molecular Weight
402.89
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

11-Fluoro dihydroloratadine
CAS Number125743-80-8
PubChem CID14621155
IUPAC Nameethyl 4-(13-chloro-2-fluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidine-1-carboxylate
Molecular FormulaC22H24ClFN2O2
Molecular Weight402.9
XLogP4.5
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity557
SMILES
CCOC(=O)N1CCC(CC1)C2(C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)F
InChI
InChI=1S/C22H24ClFN2O2/c1-2-28-21(27)26-12-9-17(10-13-26)22(24)19-8-7-18(23)14-16(19)6-5-15-4-3-11-25-20(15)22/h3-4,7-8,11,14,17H,2,5-6,9-10,12-13H2,1H3
InChIKey
OVPFJWGOZPZTKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 11-Fluoro dihydroloratadine
CAS: 125743-80-8
CID: 14621155
Formula: C22H24ClFN2O2
MW: 402.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.9
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass402.1510339
Monoisotopic Mass402.1510339
Topological Polar Surface Area42.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity557
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5756554Loratadine specified impurity F
AR-L01886-01Loratadine EP Impurity E (Iso Loratadine)
TRC-L469580-25MGLoratadine Impurity F
RM-L182070-01Loratadine Impurity 70
RM-L182069-01Loratadine Impurity 69
RM-L182092-01Loratadine Impurity 92
RM-L182057-01Loratadine Impurity 57
RM-L182083-01Loratadine Impurity 83
RM-L182085-01Loratadine Impurity 85
RM-L182047-01Loratadine Impurity 47

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