Products for Research Use Only
RegisterLogin

Ebastine

CAT: 0926-FE22636-02Size: 5 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-FE22636-02Size:5 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
90729-43-4
Synonyms
1-[4- (1,1-Dimethylethyl) phenyl]-4-[4- (diphenylmethoxy) -1-piperidinyl]-1-butanone; Estivan; Ebastel
MDL Number
MFCD00865661
Smiles
CC (C) (C) C1=CC=C (C=C1) C (=O) CCCN2CCC (CC2) OC (C3=CC=CC=C3) C4=CC=CC=C4
Molecular Formula
C32H39NO2
Molecular Weight
469.66 g/mol
Controlled
No

Chemical Information

Ebastine

Ebastine is an organic molecular entity.

CAS Number90729-43-4
PubChem CID3191
IUPAC Name4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one
Molecular FormulaC32H39NO2
Molecular Weight469.7
XLogP7.2
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity594
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3
InChIKey
MJJALKDDGIKVBE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ebastine
CAS: 90729-43-4
CID: 3191
Formula: C32H39NO2
MW: 469.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.7
XLogP37.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass469.298079487
Monoisotopic Mass469.298079487
Topological Polar Surface Area29.5 Ų
Heavy Atom Count35
Formal Charge0
Complexity594
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

Alternative Products

CatalogName
B1740-50Ebastine

Popular Products