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Ranitidine Hydrochloride
CAS: 66357-59-3 | C13H23ClN4O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 66357-59-3
- Molecular Formula
- C13H23ClN4O3S
- Molecular Mass
- 350.87 g/mol
Identifiers
CAS Registry Number
66357-59-3
SMILES
CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1.Cl
InChI Key
GGWBHVILAJZWKJ-UHFFFAOYSA-N
InChI
InChI=1S/C13H22N4O3S.ClH/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;/h4-5,9,14-15H,6-8,10H2,1-3H3;1H
Names and Synonyms
- Ranitidine Hydrochloride Synonym
- 1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N′-methyl-2-nitro-, hydrochloride (1:1) Synonym
- 1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N′-methyl-2-nitro-, monohydrochloride Synonym
- Ranitidine hydrochloride Synonym
- AH 19065 Synonym
- Zantac Synonym
- Ranigast Synonym
- Ranuber Synonym
- Normon Synonym
- Azantac Synonym
- Ultac Synonym
- Sostril Synonym
- Raniogas Synonym
- Urantac Synonym
- Rantacid Synonym
- Antagonin Synonym
- Ranisen Synonym
- Ranix Synonym
- Ezopta Synonym
- Ranacid Synonym
- Radinat Synonym
- Histac Synonym
- Achedos Synonym
- Xanidine Synonym
- Axoban Synonym
- Raticina Synonym
- Ratic Synonym
- Histak Synonym
- Zinetac Synonym
- Ranitiget Synonym
- Ulcex Synonym
- Ulceranin Synonym
- Ulceran Synonym
- Consec Synonym
- Quicran Synonym
- Raniplex Synonym
- Anistal Synonym
- Rosimol Synonym
- Simetac Synonym
- Lydin Synonym
- Apozan Synonym
- Rantac Synonym
- Aciloc Synonym
- Apo-Ranitidine Synonym
- Randin Synonym
- Ptinolin Synonym
- Eltidine Synonym
- Gastrosedol Synonym
- Raniben Synonym
- Zantab Synonym
- Zantadin Synonym
- Galidrin Synonym
- Vesyca Synonym
- Microtid Synonym
- Ranidil Synonym
- Ulcirex Synonym
- Coralen Synonym
- Rani 2 Synonym
- Ranimex Synonym
- Gastridin Synonym
- Gastrial Synonym
- Neoceptin R Synonym
- Ranial Synonym
- Aldin Synonym
- Zantic Synonym
- Atural Synonym
- Weidos Synonym
- Ranital Synonym
- RND Synonym
- Rantin Synonym
- Acloral Synonym
- Ranin Synonym
- Vizerul Synonym
- Ulsal Synonym
- Ranidine Synonym
- Ul-Pep Synonym
- Weichilin Synonym
- Verlost Synonym
- Acidex Synonym
- Curan Synonym
- Taural Synonym
- Quantor Synonym
- Trigger Synonym
- Melfax Synonym
- Terposen Synonym
- Noctone Synonym
- Ultidine Synonym
- Ranitidine-akri Synonym
- Rantidol Synonym
- Ranitin Synonym
- Zintac Synonym
- Ranitab Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Melting Point | 133-134 °C | CAS Common Chemistry |
| Name | Ranitidine hydrochloride | CAS Common Chemistry |
| Molecular Mass | 350.87 g/mol | CAS Common Chemistry |
| 350.872 g/mol | RDKit | |
| 350.862 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=N(=O)C=C(NC)NCCSCC=1OC(=CC1)CN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H22N4O3S.ClH/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;/h4-5,9,14-15H,6-8,10H2,1-3H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=GGWBHVILAJZWKJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 83.58 Ų | RDKit |
| LogP | 1.8808000000000002 | RDKit |
| 1.8808 | RDKit | |
| Molar Refractivity | 91.64880000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5385 | RDKit |
| 0.54 | chempirical lib | |
| Exact Mass | 350.11793927599996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Related
Related molecules
Other compounds with formula C13H23ClN4O3S.
