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Cyclobutyrol

CAT: 0804-HY-118534Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-118534Size:1 Each
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Description
Cyclobutyrol is a potent choleretic agent. Cyclobutyrol also inhibits biliary lipid secretion. Cyclobutyrol induces choleretic is unrelated to bile acids. Cyclobutyrol and bile acids do not compete for the hepatobiliar transport mechanisms[1]
CAS Number
512-16-3
Product Name Alternative
BRN-2209058
UNSPSC
12352209
Hazard Statement
H302-H315-H319-H335
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/cyclobutyrol.html
Solubility
10 mM in DMSO
Smiles
O=C(C(C1(CCCCC1)O)CC)O
Molecular Formula
C10H18O3
Molecular Weight
186.25
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501
References & Citations
[1]Monte MJ, et al. Choleretic mechanism and effects of cyclobutyrol in the rat: dose-response relationship. Biomed Biochim Acta. 1990; 49 (1) :83-90.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

alpha-Ethyl-1-hydroxycyclohexaneacetic acid

Cyclobutyrol is a hydroxy monocarboxylic acid in which the hydroxy group is geminal to a 1-carboxypropyl group on a cyclohexane ring. It has a role as a bile therapy drug.

CAS Number512-16-3
PubChem CID72065
IUPAC Name2-(1-hydroxycyclohexyl)butanoic acid
Molecular FormulaC10H18O3
Molecular Weight186.25
XLogP2.1
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity183
SMILES
CCC(C(=O)O)C1(CCCCC1)O
InChI
InChI=1S/C10H18O3/c1-2-8(9(11)12)10(13)6-4-3-5-7-10/h8,13H,2-7H2,1H3,(H,11,12)
InChIKey
NIVFTEMPSCMWDE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-Ethyl-1-hydroxycyclohexaneacetic acid
CAS: 512-16-3
CID: 72065
Formula: C10H18O3
MW: 186.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.25
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass186.125594432
Monoisotopic Mass186.125594432
Topological Polar Surface Area57.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity183
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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