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Acitretin

CAT: 1410-M14992-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M14992-02Size:50 mg
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Description
Acitretin (Ro 10-1670) is a second-generation, systemic retinoid that has been used in the treatment of psoriasis.
CAS Number
55079-83-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
326.43
Molecular Formula
C21H26O3
Notes
Research use only, not for human use.
Receptor
RAR| RXR

Chemical Information

Acitretin

All-trans-acitretin is a retinoid, an acitretin and an alpha,beta-unsaturated monocarboxylic acid. It has a role as a keratolytic drug.

CAS Number55079-83-9
PubChem CID5284513
IUPAC Name(2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
Molecular FormulaC21H26O3
Molecular Weight326.4
XLogP6.1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity539
SMILES
CC1=CC(=C(C(=C1/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)C)C)OC
InChI
InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12+
InChIKey
IHUNBGSDBOWDMA-AQFIFDHZSA-N
Chemical Structure
2D Structure
2D structure of Acitretin
CAS: 55079-83-9
CID: 5284513
Formula: C21H26O3
MW: 326.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.4
XLogP36.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass326.18819469
Monoisotopic Mass326.18819469
Topological Polar Surface Area46.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity539
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
HY-B0107-01Acitretin

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