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Penthrichloral

CAT: 0013-GTR19242127-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242127-02Size:10 mg
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Description
Penthrichloral is a sedative-hypnotic compound with a profile akin to chloral hydrate but offers improved taste and reduced gastric irritation. It is also utilized as a polyester fiber adhesive. In research, it serves as a chemical tool for studying sedative mechanisms in vivo and in vitro.
CAS Number
5684-90-2
Smiles
ClC (Cl) (Cl) C1OCC (CO) (CO) CO1
Molecular Formula
C7H11Cl3O4
Molecular Weight
265.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Penthrichloral

Penthrichloral is a small molecule drug. Penthrichloral has a monoisotopic molecular weight of 263.97 Da.

CAS Number5684-90-2
PubChem CID71839
IUPAC Name[5-(hydroxymethyl)-2-(trichloromethyl)-1,3-dioxan-5-yl]methanol
Molecular FormulaC7H11Cl3O4
Molecular Weight265.5
XLogP0.5
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity180
SMILES
C1C(COC(O1)C(Cl)(Cl)Cl)(CO)CO
InChI
InChI=1S/C7H11Cl3O4/c8-7(9,10)5-13-3-6(1-11,2-12)4-14-5/h5,11-12H,1-4H2
InChIKey
QMSJBEPHXPSJPT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Penthrichloral
CAS: 5684-90-2
CID: 71839
Formula: C7H11Cl3O4
MW: 265.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight265.5
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass263.972292
Monoisotopic Mass263.972292
Topological Polar Surface Area58.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity180
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

Alternative Products

CatalogName
T202423-01Penthrichloral

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