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Hydroxy Terfenadine

CAT: 1596-AR-T04503-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T04503-06Size:250 Units
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CAS Number
76815-56-0
Synonyms
1- (4- (1-Hydroxy-2-methylpropan-2-yl) phenyl) -4- (4- (hydroxydiphenylmethyl) piperidin-1-yl) butan-1-ol; Terfenadine Alcohol
Molecular Formula
C32H41NO3
Molecular Weight
487.68
API Name
Terfenadine

Chemical Information

Hydroxyterfenadine
CAS Number76815-56-0
PubChem CID9805485
IUPAC Name4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]butan-1-ol
Molecular FormulaC32H41NO3
Molecular Weight487.7
XLogP5.3
Topological Polar Surface Area63.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count36
Formal Charge0
Complexity605
SMILES
CC(C)(CO)C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O
InChI
InChI=1S/C32H41NO3/c1-31(2,24-34)26-17-15-25(16-18-26)30(35)14-9-21-33-22-19-29(20-23-33)32(36,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-13,15-18,29-30,34-36H,9,14,19-24H2,1-2H3
InChIKey
ZIQKFOOBIMENJF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxyterfenadine
CAS: 76815-56-0
CID: 9805485
Formula: C32H41NO3
MW: 487.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight487.7
XLogP35.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass487.30864417
Monoisotopic Mass487.30864417
Topological Polar Surface Area63.9 Ų
Heavy Atom Count36
Formal Charge0
Complexity605
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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