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Propacetamol (hydrochloride)

CAT: 0804-HY-108292-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-108292-01Size:100 mg
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Description
Propacetamol hydrochloride is an analgesic agent, can be used in induction of acute liver injury. Propacetamol hydrochloride acts function through CYP2E1 inactivation, UGT1A1 activation, and attenuation of oxidative stress. Propacetamol hydrochloride also is a precursor form of paracetamol. Propacetamol hydrochloride can be used in postoperative pain, acute trauma and gastrointestinal disorders[1].
CAS Number
66532-86-3
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Others
Type
Reference compound
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/propacetamol-hydrochloride.html
Purity
99.89
Solubility
DMSO : 25 mg/mL (ultrasonic; warming; heat to 80°C) |H2O : 250 mg/mL (ultrasonic)
Smiles
O=C(OC1=CC=C(NC(C)=O)C=C1)CN(CC)CC.[H]Cl
Molecular Formula
C14H21ClN2O3
Molecular Weight
300.79
Precautions
H302, H315, H319, H335
References & Citations
[1]Ewan D McNicol, et al. Single dose intravenous paracetamol or intravenous propacetamol for postoperative pain. Cochrane Database Syst Rev.|[2]Tsai MS, et al. Kaempferol protects against propacetamol-induced acute liver injury through CYP2E1 inactivation, UGT1A1 activation, and attenuation of oxidative stress, inflammation and apoptosis in mice. Toxicol Lett. 2018 Jun 15;290:97-109.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Glycine, N,N-diethyl-, 4-(acetylamino)phenyl ester, hydrochloride (1:1)
CAS Number66532-86-3
PubChem CID108082
IUPAC Name(4-acetamidophenyl) 2-(diethylamino)acetate;hydrochloride
Molecular FormulaC14H21ClN2O3
Molecular Weight300.78
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count20
Formal Charge0
Complexity295
SMILES
CCN(CC)CC(=O)OC1=CC=C(C=C1)NC(=O)C.Cl
InChI
InChI=1S/C14H20N2O3.ClH/c1-4-16(5-2)10-14(18)19-13-8-6-12(7-9-13)15-11(3)17;/h6-9H,4-5,10H2,1-3H3,(H,15,17);1H
InChIKey
WGTYJNGARJPYKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Glycine, N,N-diethyl-, 4-(acetylamino)phenyl ester, hydrochloride (1:1)
CAS: 66532-86-3
CID: 108082
Formula: C14H21ClN2O3
MW: 300.78
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.78
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass300.1240702
Monoisotopic Mass300.1240702
Topological Polar Surface Area58.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity295
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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