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Roxatidine acetate

CAT: 0013-GTR19206808-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206808-02Size:50 mg
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Description
Roxatidine acetate is a histamine H2-receptor antagonist used as an anti-ulcer agent to suppress gastric acid secretion. It is employed in research models, both in vitro and in vivo, to study gastrointestinal pharmacology and ulcer disease mechanisms, offering a favorable therapeutic index at effective doses.
CAS Number
78628-28-1
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Smiles
O=C (OCC (=O) NCCCOC1=CC=CC (=C1) CN2CCCCC2) C
Molecular Formula
C19H28N2O4
Molecular Weight
348.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Roxatidine acetate

Roxane is a member of piperidines.

CAS Number78628-28-1
PubChem CID5105
IUPAC Name[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] acetate
Molecular FormulaC19H28N2O4
Molecular Weight348.4
XLogP2.1
Topological Polar Surface Area67.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count25
Formal Charge0
Complexity410
SMILES
CC(=O)OCC(=O)NCCCOC1=CC=CC(=C1)CN2CCCCC2
InChI
InChI=1S/C19H28N2O4/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23)
InChIKey
SMTZFNFIKUPEJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Roxatidine acetate
CAS: 78628-28-1
CID: 5105
Formula: C19H28N2O4
MW: 348.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.4
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass348.20490738
Monoisotopic Mass348.20490738
Topological Polar Surface Area67.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity410
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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