- Roxatidine
- Roxatidine acetate
- Roxatidine acetate hydrochloride
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Cas Database |
| Name |
Roxatidine acetate |
EINECS | N/A |
| CAS No. | 78628-28-1 | Density | 1.13 g/cm3 |
| PSA | 67.87000 | LogP | 2.44950 |
| Solubility | soluble in DMSO, insoluble in water and ethanol. | Melting Point |
59-60° |
| Formula | C19H28 N2 O4 | Boiling Point | 537.3 °C at 760 mmHg |
| Molecular Weight | 348.442 | Flash Point | 278.7 °C |
| Transport Information | N/A | Appearance | white or off-white powder |
| Safety | Risk Codes | R20/21/22; R36/37/38 | |
| Molecular Structure |
|
Hazard Symbols |
 Xn, Xi
|
| Synonyms |
Aceroxatidine;Pifatidine; Roxatidine acetate |
Article Data | 2 |
Roxatidine acetate Chemical Properties
Product Name: Roxatidine acetate (CAS NO.78628-28-1)
Molecular Formula: C19H28N2O4
Molecular Weight: 348.44g/mol
Mol File: 78628-28-1.mol
Boiling point: 537.3 °C at 760 mmHg
Flash Point: 278.7 °C
Density: 1.13 g/cm3
Surface Tension: 45 dyne/cm
Enthalpy of Vaporization: 81.42 kJ/mol
Vapour Pressure: 1.29E-11 mmHg at 25°C
XLogP3-AA: 2.1
H-Bond Donor: 1
H-Bond Acceptor: 5
Structure Descriptors of Roxatidine acetate (CAS NO.78628-28-1):
IUPAC Name: [2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] acetate
Canonical 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
Roxatidine acetate Uses
The antisecretory effect of roxatidine acetate is mediated by its main metabolite,roxatidine. Roxatidine acetate (CAS NO.78628-28-1) has no antiandrogenic effects and does not influence drug-metabolizing enzymes in the liver.
Roxatidine acetate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 1gm/kg (1000mg/kg) | United States Patent Document. Vol. #4293557, |
Roxatidine acetate Specification
Roxatidine acetate , its CAS NO. is 78628-28-1, the synonyms are 2-(Acetyloxy)-N-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)acetamide ; Aceroxatidine ; BRN 5829308 ; Roxatidina ; Roxatidinum ; Acetamide, 2-(acetyloxy)-N-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)- .
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