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Gefarnate

CAT: 0013-GTR19157428-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157428-01Size:500 mg
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Description
Gefarnate is a synthetic compound used for the treatment of gastric ulcersand also used in the treatment of dry eye syndrome.
CAS Number
51-77-4
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
DMSO:100 mg/mL (249.60 mM)
Smiles
CC (C) =CCC\C (C) =C\CC\C (C) =C\CCC (=O) OC\C=C (/C) CCC=C (C) C
Molecular Formula
C27H44O2
Molecular Weight
400.64
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
[ (2E) -37-Dimethylocta-26-dienyl] (4E8E) -5913-trimethyltetradeca-4812-trienoate

Chemical Information

Gefarnate

Gefarnate is an organic molecular entity.

CAS Number51-77-4
PubChem CID5282182
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienyl] (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate
Molecular FormulaC27H44O2
Molecular Weight400.6
XLogP9.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Heavy Atom Count29
Formal Charge0
Complexity619
SMILES
CC(=CCC/C(=C/CC/C(=C/CCC(=O)OC/C=C(\C)/CCC=C(C)C)/C)/C)C
InChI
InChI=1S/C27H44O2/c1-22(2)12-8-14-24(5)16-10-17-25(6)18-11-19-27(28)29-21-20-26(7)15-9-13-23(3)4/h12-13,16,18,20H,8-11,14-15,17,19,21H2,1-7H3/b24-16+,25-18+,26-20+
InChIKey
ZPACYDRSPFRDHO-ROBAGEODSA-N
Chemical Structure
2D Structure
2D structure of Gefarnate
CAS: 51-77-4
CID: 5282182
Formula: C27H44O2
MW: 400.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.6
XLogP39.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Exact Mass400.334130642
Monoisotopic Mass400.334130642
Topological Polar Surface Area26.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity619
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
561640Gefarnate
A13666-100Gefarnate 100mg
A13666-50Gefarnate 50mg
A13666-200Gefarnate 200mg
TRC-G303500-2.5GGefarnate (Mixture of Isomers)
A13666-10mM-DGefarnate 10mM * 1mL in DMSO

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