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Hydroxy Ebastine

CAT: 0013-GTR19190572-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190572-01Size:500 µg
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Description
Hydroxy Ebastine
CAS Number
210686-41-2
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
O=C (C1=CC=C (C=C1) C (C) (C) CO) CCCN2CCC (OC (C=3C=CC=CC3) C=4C=CC=CC4) CC2
Molecular Formula
C32H39NO3
Molecular Weight
485.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Hydroxyebastine

Hydroxyebastine is a diarylmethane.

CAS Number210686-41-2
PubChem CID11992145
IUPAC Name4-(4-benzhydryloxypiperidin-1-yl)-1-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]butan-1-one
Molecular FormulaC32H39NO3
Molecular Weight485.7
XLogP6
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity618
SMILES
CC(C)(CO)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C32H39NO3/c1-32(2,24-34)28-17-15-25(16-18-28)30(35)14-9-21-33-22-19-29(20-23-33)36-31(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,29,31,34H,9,14,19-24H2,1-2H3
InChIKey
UDZUMQUGNZBRMN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxyebastine
CAS: 210686-41-2
CID: 11992145
Formula: C32H39NO3
MW: 485.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight485.7
XLogP36
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass485.29299411
Monoisotopic Mass485.29299411
Topological Polar Surface Area49.8 Ų
Heavy Atom Count36
Formal Charge0
Complexity618
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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sc-211605-CWHydroxy Ebastine
sc-280797Hydroxy Ebastine-d5
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