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Etarotene

CAT: 1410-M34077-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M34077-03Size:10 mg
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Description
Etarotene (Arotinoid ethyl sulphone) is an ethylsulfonyl derivative of aloe acid with differentiation-inducing and potentially antitumor activity.Etarotene is a collagenase inhibitor and can be used to study psoriasis.
CAS Number
87719-32-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
396.59
Molecular Formula
C25H32O2S
Notes
Research use only, not for human use.
Receptor
Tyrosinase

Chemical Information

Etarotene

Etarotene is a small molecule drug. The usage of the INN stem '-arotene' in the name indicates that Etarotene is a arotinoid derivative. Etarotene has a monoisotopic molecular weight of 396.21 Da.

CAS Number87719-32-2
PubChem CID6435463
IUPAC Name6-[(E)-1-(4-ethylsulfonylphenyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
Molecular FormulaC25H32O2S
Molecular Weight396.6
XLogP7.5
Topological Polar Surface Area42.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity672
SMILES
CCS(=O)(=O)C1=CC=C(C=C1)/C=C(\C)/C2=CC3=C(C=C2)C(CCC3(C)C)(C)C
InChI
InChI=1S/C25H32O2S/c1-7-28(26,27)21-11-8-19(9-12-21)16-18(2)20-10-13-22-23(17-20)25(5,6)15-14-24(22,3)4/h8-13,16-17H,7,14-15H2,1-6H3/b18-16+
InChIKey
UDAZCXVIYSIEFX-FBMGVBCBSA-N
Chemical Structure
2D Structure
2D structure of Etarotene
CAS: 87719-32-2
CID: 6435463
Formula: C25H32O2S
MW: 396.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.6
XLogP37.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass396.21230143
Monoisotopic Mass396.21230143
Topological Polar Surface Area42.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity672
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5775123Etarotene

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