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3-Methoxy Loratadine

CAT: 0572-TRC-M262640-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M262640-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
165739-73-1
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4cc(OC)cnc24)CC1
Molecular Formula
C23 H25 Cl N2 O3
Molecular Weight
412.91
InChI
InChI=1S/C23H25ClN2O3/c1-3-29-23(27)26-10-8-15(9-11-26)21-20-7-6-18(24)12-16(20)4-5-17-13-19(28-2)14-25-22(17)21/h6-7,12-14H,3-5,8-11H2,1-2H3
Additionnal Information
IUPAC name: ethyl 4-(8-chloro-3-methoxy-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Methoxy Loratadine
CAS Number165739-73-1
PubChem CID18382725
IUPAC Nameethyl 4-(13-chloro-6-methoxy-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate
Molecular FormulaC23H25ClN2O3
Molecular Weight412.9
XLogP5.2
Topological Polar Surface Area51.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity615
SMILES
CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC(=C4)OC)C=C(C=C3)Cl)CC1
InChI
InChI=1S/C23H25ClN2O3/c1-3-29-23(27)26-10-8-15(9-11-26)21-20-7-6-18(24)12-16(20)4-5-17-13-19(28-2)14-25-22(17)21/h6-7,12-14H,3-5,8-11H2,1-2H3
InChIKey
XIUQXOBEGLVYPC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methoxy Loratadine
CAS: 165739-73-1
CID: 18382725
Formula: C23H25ClN2O3
MW: 412.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.9
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass412.1553704
Monoisotopic Mass412.1553704
Topological Polar Surface Area51.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity615
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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MBS6029657-013-Methoxy Loratadine
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0139433-Hydroxy Loratadine-D4
RM-L182011-01Loratadine 3-Hydroxy Impurity
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CS-T-102349Loratadine-d5 (2,3,4,5,5-d5)
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