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Triparanol

CAT: 0926-FT28574-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-FT28574-01Size:2 mg
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CAS Number
78-41-1
Synonyms
4-Chloro-a-[4-[2- (diethylamino) ethoxy]phenyl]-a- (4-methylphenyl) benzeneethanol;1-[4-[2- (Diethylamino) ethoxy]phenyl]-1- (p-tolyl) -2- (p -chlorophenyl) ethanol
Smiles
CCN (CC) CCOC1=CC=C (C=C1) C (CC2=CC=C (C=C2) Cl) (C3=CC=C (C=C3) C) O
Molecular Formula
C27H32ClNO2
Molecular Weight
438 g/mol
Controlled
No

Chemical Information

Triparanol

Triparanol is a stilbenoid. It has a role as an anticoronaviral agent.

CAS Number78-41-1
PubChem CID6536
IUPAC Name2-(4-chlorophenyl)-1-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methylphenyl)ethanol
Molecular FormulaC27H32ClNO2
Molecular Weight438.0
XLogP6.2
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity489
SMILES
CCN(CC)CCOC1=CC=C(C=C1)C(CC2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)C)O
InChI
InChI=1S/C27H32ClNO2/c1-4-29(5-2)18-19-31-26-16-12-24(13-17-26)27(30,23-10-6-21(3)7-11-23)20-22-8-14-25(28)15-9-22/h6-17,30H,4-5,18-20H2,1-3H3
InChIKey
SYHDSBBKRLVLFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Triparanol
CAS: 78-41-1
CID: 6536
Formula: C27H32ClNO2
MW: 438.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.0
XLogP36.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass437.2121570
Monoisotopic Mass437.2121570
Topological Polar Surface Area32.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity489
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

Alternative Products

CatalogName
MBS5776022Triparanol
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