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Cinoctramide

CAT: 0804-HY-B1084-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1084-01Size:5 mg
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Description
Cinoctramide is an intermediate of pharmaceutical synthesis. Cinoctramide can be used for the research of autoimmune diseases[1].
CAS Number
28598-08-5
UNSPSC
12352005
Target
Drug Intermediate
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/Cinoctramide.html
Purity
99.06
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
O=C(N1CCCCCCC1)/C=C/C2=CC(OC)=C(OC)C(OC)=C2
Molecular Formula
C19H27NO4
Molecular Weight
333.42
References & Citations
[1]Joshua David Mezrich, et al. Method of Treating Transplant Rejection and Autoimmune Diseases. Patent US20180042899A1.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Cinoctramide
CAS Number28598-08-5
PubChem CID193983
IUPAC Name1-(azocan-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Molecular FormulaC19H27NO4
Molecular Weight333.4
XLogP3.5
Topological Polar Surface Area48
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity390
SMILES
COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCCCCCC2
InChI
InChI=1S/C19H27NO4/c1-22-16-13-15(14-17(23-2)19(16)24-3)9-10-18(21)20-11-7-5-4-6-8-12-20/h9-10,13-14H,4-8,11-12H2,1-3H3
InChIKey
MDGVCMGGLSOVIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cinoctramide
CAS: 28598-08-5
CID: 193983
Formula: C19H27NO4
MW: 333.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.4
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass333.19400834
Monoisotopic Mass333.19400834
Topological Polar Surface Area48 Ų
Heavy Atom Count24
Formal Charge0
Complexity390
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
412919Cinoctramide

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