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Levocetirizine Ethyl Ester

CAT: 0572-TRC-L379260-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-L379260-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1116338-10-3
Synonyms
2-[2-[4-[(R)-(4-Chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]acetic acid ethyl ester
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
CCOC(=O)COCCN1CCN(CC1)[C@H](c2ccccc2)c3ccc(Cl)cc3
Molecular Formula
C23 H29 Cl N2 O3
Molecular Weight
416.94
InChI
InChI=1S/C23H29ClN2O3/c1-2-29-22(27)18-28-17-16-25-12-14-26(15-13-25)23(19-6-4-3-5-7-19)20-8-10-21(24)11-9-20/h3-11,23H,2,12-18H2,1H3/t23-/m1/s1
Additionnal Information
IUPAC name: ethyl 2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Levocetirizine Ethyl Ester
CAS Number1116338-10-3
PubChem CID58442841
IUPAC Nameethyl 2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetate
Molecular FormulaC23H29ClN2O3
Molecular Weight416.9
XLogP4.7
Topological Polar Surface Area42
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count29
Formal Charge0
Complexity471
SMILES
CCOC(=O)COCCN1CCN(CC1)[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H29ClN2O3/c1-2-29-22(27)18-28-17-16-25-12-14-26(15-13-25)23(19-6-4-3-5-7-19)20-8-10-21(24)11-9-20/h3-11,23H,2,12-18H2,1H3/t23-/m1/s1
InChIKey
ASHQTVRYHSZGQY-HSZRJFAPSA-N
Chemical Structure
2D Structure
2D structure of Levocetirizine Ethyl Ester
CAS: 1116338-10-3
CID: 58442841
Formula: C23H29ClN2O3
MW: 416.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.9
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass416.1866705
Monoisotopic Mass416.1866705
Topological Polar Surface Area42 Ų
Heavy Atom Count29
Formal Charge0
Complexity471
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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