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Bepotastine Isopropyl Ester

CAT: 0572-TRC-B317015-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B317015-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1807607-93-7
Synonyms
1-Methylethyl 4-[(S)-(4-chlorophenyl)-2-pyridinylmethoxy]-1-piperidinebutanoate
Hazard Statement
Suspected of damaging fertility or the unborn child.
Purity
>95% (HPLC)
Smiles
ClC(C=C1)=CC=C1[C@@H](C2=CC=CC=N2)OC3CCN(CCCC(OC(C)C)=O)CC3
Molecular Formula
C24H31ClN2O3
Molecular Weight
430.97
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Bepotastine Isopropyl Ester
CAS Number1807607-93-7
PubChem CID154789952
IUPAC Namepropan-2-yl 4-[4-[(S)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoate
Molecular FormulaC24H31ClN2O3
Molecular Weight431.0
XLogP4.4
Topological Polar Surface Area51.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity503
SMILES
CC(C)OC(=O)CCCN1CCC(CC1)O[C@@H](C2=CC=C(C=C2)Cl)C3=CC=CC=N3
InChI
InChI=1S/C24H31ClN2O3/c1-18(2)29-23(28)7-5-15-27-16-12-21(13-17-27)30-24(22-6-3-4-14-26-22)19-8-10-20(25)11-9-19/h3-4,6,8-11,14,18,21,24H,5,7,12-13,15-17H2,1-2H3/t24-/m0/s1
InChIKey
YBHIDMQYSOTASW-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of Bepotastine Isopropyl Ester
CAS: 1807607-93-7
CID: 154789952
Formula: C24H31ClN2O3
MW: 431.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.0
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass430.2023205
Monoisotopic Mass430.2023205
Topological Polar Surface Area51.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity503
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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