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Bepotastine >90%

CAT: 0572-TRC-B316095-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B316095-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
125602-71-3
Synonyms
(+)-(S)-4-[4-[1-(4-chlorophenyl)-1-(2-pyridyl)methoxy]piperidin-1-yl]butyric acid; 4-[4-[(S)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoic acid; 1-Piperidinebutanoic acid, 4-[(S)-(4-chlorophenyl)-2-pyridinylmethoxy]; 4-[(S)-(4-Chlorophenyl)-2-pyridinylmethoxy]-1-piperidinebutanoic acid; (S)-4-[4-(4-chlorophenyl-2-pyridylmethoxy)piperidinyl]butyric acid; (S)-Bepotastine; Bepotastine
Hazard Statement
Suspected of damaging fertility or the unborn child.
Purity
>95% (HPLC)
Smiles
OC(=O)CCCN1CCC(CC1)O[C@@H](c2ccc(Cl)cc2)c3ccccn3
Molecular Formula
C21 H25 Cl N2 O3
Molecular Weight
388.89
InChI
InChI=1S/C21H25ClN2O3/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26)/t21-/m0/s1
Additionnal Information
IUPAC name: 4-[4-[(S)-(4-chlorophenyl)-(2-pyridyl)methoxy]-1-piperidyl]butanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Bepotastine

Bepotastine is an ether that is (S)-(4-chlorophenyl)(pyridin-2-yl)methanol in which the hydroxyl hydrogen is substituted by a 1-(3-carboxypropyl)piperidin-4-yl group. A topical, selective and non-sedating histamine (H1) receptor antagonist used (as its benzenesulfonate salt) for treatment of itching associated with allergic conjunctivitis. It has a role as a H1-receptor antagonist and an anti-allergic agent. It is a monocarboxylic acid, an ether, a member of piperidines, a member of pyridines and a member of monochlorobenzenes. It is a conjugate base of a bepotastine(1+).

CAS Number125602-71-3
PubChem CID164522
IUPAC Name4-[4-[(S)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoic acid
Molecular FormulaC21H25ClN2O3
Molecular Weight388.9
XLogP1
Topological Polar Surface Area62.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity449
SMILES
C1CN(CCC1O[C@@H](C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCCC(=O)O
InChI
InChI=1S/C21H25ClN2O3/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26)/t21-/m0/s1
InChIKey
YWGDOWXRIALTES-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of Bepotastine
CAS: 125602-71-3
CID: 164522
Formula: C21H25ClN2O3
MW: 388.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.9
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass388.1553704
Monoisotopic Mass388.1553704
Topological Polar Surface Area62.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity449
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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