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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 Weight:
350.872 g/mol
Names and Synonyms:
Ranitidine Hydrochloride
1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N′-methyl-2-nitro-, hydrochloride (1:1)
1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N′-methyl-2-nitro-, monohydrochloride
Ranitidine hydrochloride
AH 19065
Zantac
Ranigast
Ranuber
Normon
Azantac
Ultac
Sostril
Raniogas
Urantac
Rantacid
Antagonin
Ranisen
Ranix
Ezopta
Ranacid
Radinat
Histac
Achedos
Xanidine
Axoban
Raticina
Ratic
Histak
Zinetac
Ranitiget
Ulcex
Ulceranin
Ulceran
Consec
Quicran
Raniplex
Anistal
Rosimol
Simetac
Lydin
Apozan
Rantac
Aciloc
Apo-Ranitidine
Randin
Ptinolin
Eltidine
Gastrosedol
Raniben
Zantab
Zantadin
Galidrin
Vesyca
Microtid
Ranidil
Ulcirex
Coralen
Rani 2
Ranimex
Gastridin
Gastrial
Neoceptin R
Ranial
Aldin
Zantic
Atural
Weidos
Ranital
RND
Rantin
Acloral
Ranin
Vizerul
Ulsal
Ranidine
Ul-Pep
Weichilin
Verlost
Acidex
Curan
Taural
Quantor
Trigger
Melfax
Terposen
Noctone
Ultidine
Ranitidine-akri
Rantidol
Ranitin
Zintac
Ranitab
Identifiers:
SMILES:
CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1.Cl
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 350.872 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 350.11793927599996 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 22 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 7 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 10 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 83.58 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.8808000000000002 | RDKit |
| molecular_mass | 350.87 g/mol | Legacy Database |
| cas-canonical-smile | Cl.O=N(=O)C=C(NC)NCCSCC=1OC(=CC1)CN(C)C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=GGWBHVILAJZWKJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 133-134 °C None | Legacy Database |
| cas-name | Ranitidine hydrochloride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 91.64880000000004 | RDKit |
