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Isoacitretin

CAT: 0931-T32201-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T32201-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
69427-46-9
Target
Others
Related Pathways
Others
Bioactivity
Isoacitretin is an oral retinoid effective and can be used to treat psoriasis.
Smiles
C(=C/C(=C/C=C/C(=C\C(O)=O)/C)/C)\C1=C(C)C(C)=C(OC)C=C1C
Molecular Formula
C21H26O3
Molecular Weight
326.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

13-cis-Acitretin

2Z-acitretin is an acitretin.

CAS Number69427-46-9
PubChem CID6437841
IUPAC Name(2Z,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-UGOGCBOOSA-N
Chemical Structure
2D Structure
2D structure of 13-cis-Acitretin
CAS: 69427-46-9
CID: 6437841
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
GTR19194270-01Isoacitretin
A0601-0313-cis-Acitretin-d3 (9- (4-Methoxy-d3-2,3,6-trimethylphenyl) -3,7-dimethyl-2,4,6,8-nonatetraenoic Acid, 13-cis-Etretin, Isoacitretin, Isoetretin, Ro 13-7652)
MBS6088125-0113-cis-Acitretin (9- (4-Methoxy-2,3,6-trimethylphenyl) -3,7-dimethyl-2,4,6,8-nonatetraenoic Acid, 13-cis-Etretin, Isoacitretin, Isoetretin, Ro 13-7652)

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