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Terpin (hydrate) (Standard)

CAT: 0804-HY-B1063R-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1063R-01Size:25 mg
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Description
Terpin (hydrate) (Standard) is the analytical standard of Terpin (hydrate). This product is intended for research and analytical applications. Terpin hydrate (cis-Terpin hydrate) is an expectorant, commonly used to remove mucus in patients with acute and chronic bronchitis. Terpin hydrate ameliorates Paraquat dichloride -induced lung damage.
CAS Number
2451-01-6
Product Name Alternative
Terpin monohydrate (Standard) ; cis-Terpin hydrate (Standard)
UNSPSC
12352211
Target
Biochemical Assay Reagents; Reference Standards
Type
Reference Standards
Related Pathways
Others
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/terpin-hydrate-standard.html
Smiles
O[C@]1(C)CC[C@H](C(C)(C)O)CC1.O
Molecular Formula
C10H22O3
Molecular Weight
190.28
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

4-(2-Hydroxypropan-2-yl)-1-methylcyclohexan-1-ol--water (1/1)

Terpin hydrate is an expectorant, commonly used to loosen mucus and ease congestion in patients presenting with acute or chronic bronchitis, and related pulmonary conditions. It is derived from sources such as turpentine, oregano, thyme and eucalyptus. It was popular in the United States since the late nineteenth century, but was removed from marketed medications in the 1990s after FDA stated that "based on evidence currently available, there are inadequate data to establish general recognition of the safety and effectiveness of these ingredients". Elixirs of terpin hydrate are still available to patients as prescription medications to be prepared by specialty compounding pharmacies.

CAS Number2451-01-6
PubChem CID17141
IUPAC Name4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol;hydrate
Molecular FormulaC10H22O3
Molecular Weight190.28
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity155
SMILES
CC1(CCC(CC1)C(C)(C)O)O.O
InChI
InChI=1S/C10H20O2.H2O/c1-9(2,11)8-4-6-10(3,12)7-5-8;/h8,11-12H,4-7H2,1-3H3;1H2
InChIKey
JGKJMBOJWVAMIJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Hydroxypropan-2-yl)-1-methylcyclohexan-1-ol--water (1/1)
CAS: 2451-01-6
CID: 17141
Formula: C10H22O3
MW: 190.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight190.28
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass190.15689456
Monoisotopic Mass190.15689456
Topological Polar Surface Area41.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity155
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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