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Etretinate

CAT: 1410-M18769-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M18769-02Size:25 mg
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Description
Etretinate is a RAR and RXR agonist previoulsy used to treat psoriasis. It induces brth defects and suppresses proliferation in cutaneous T-cell lymphoma models.
CAS Number
54350-48-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
354.48
Molecular Formula
C23H30O3
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Etretinate

Etretinate can cause developmental toxicity according to an independent committee of scientific and health experts.

CAS Number54350-48-0
PubChem CID5282375
IUPAC Nameethyl (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate
Molecular FormulaC23H30O3
Molecular Weight354.5
XLogP6.8
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity568
SMILES
CCOC(=O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C(=C(C=C1C)OC)C)C
InChI
InChI=1S/C23H30O3/c1-8-26-23(24)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(25-7)20(6)19(21)5/h9-15H,8H2,1-7H3/b11-9+,13-12+,16-10+,17-14+
InChIKey
HQMNCQVAMBCHCO-DJRRULDNSA-N
Chemical Structure
2D Structure
2D structure of Etretinate
CAS: 54350-48-0
CID: 5282375
Formula: C23H30O3
MW: 354.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.5
XLogP36.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass354.21949481
Monoisotopic Mass354.21949481
Topological Polar Surface Area35.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity568
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19168041-01Etretinate
011882Etretinate-d3
A16356-25Etretinate 25mg

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