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Hexahydrohippuric acid

CAT: 0804-HY-W403633-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W403633-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Hexahydrohippuric acid is a metabolite of Shikimate acid in both liver and kidney, under microbial metabolism effect. Hexahydrohippuric acid is made of cyclohexane carboxylic acid and glycinamide, and shows antibacterial activity[1][2].
CAS Number
32377-88-1
UNSPSC
12352211
Hazard Statement
H302-H312-H332
Target
Bacterial
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/hexahydrohippuric-acid.html
Solubility
10 mM in DMSO
Smiles
O=C(O)CNC(C1CCCCC1)=O
Molecular Formula
C9H15NO3
Molecular Weight
185.22
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501
References & Citations
[1]Uenishi H, Bacteriostatic or antibacterial agents containing amide of cyclohexanecarboxylic acid with amino acid and phytopathogenic bacteria control agents, food, etc., containing the agents: Japan, JP2015093867[P]. 2015-05-18.|[2]Brewster D, et al. The metabolism of cyclohexanecarboxylate in the rat. Biochem J. 1977 Jun 15;164 (3) :595-600.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Hexahydrohippurate

Hexahydrohippurate is a N-acylglycine.

CAS Number32377-88-1
PubChem CID147412
IUPAC Name2-(cyclohexanecarbonylamino)acetic acid
Molecular FormulaC9H15NO3
Molecular Weight185.22
XLogP1.2
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity197
SMILES
C1CCC(CC1)C(=O)NCC(=O)O
InChI
InChI=1S/C9H15NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h7H,1-6H2,(H,10,13)(H,11,12)
InChIKey
ROXXNENGCGLRSW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hexahydrohippurate
CAS: 32377-88-1
CID: 147412
Formula: C9H15NO3
MW: 185.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight185.22
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass185.10519334
Monoisotopic Mass185.10519334
Topological Polar Surface Area66.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity197
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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