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Ribavirin
CAS: 36791-04-5 | C8H12N4O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
36791-04-5
Molecular Formula:
C8H12N4O5
Molecular Mass:
244.21 g/mol
Names and Synonyms:
Ribavirin
1H-1,2,4-Triazole-3-carboxamide, 1-β-D-ribofuranosyl-
1-β-D-Ribofuranosyl-1H-1,2,4-triazole-3-carboxamide
Virazole
1-β-D-Ribofuranosyl-1,2,4-triazole-3-carboxamide
ICN 1229
Ribavirin
Viramid
1-β-D-Ribofuranosyl-1,2,4-triazol-3-carboxyamide
NSC 163039
Vilona
Ribamide
Ribamidil
Tribavirin
Rebetol
Ribavarin
Ravanex
Copegus
Ribasphere
Virizadole
MegaRibavirin
EBP 954
Meduna
Virin
1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,2,4-triazole-3-carboxamide
Cotronak
Identifiers:
SMILES:
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1
InChI:
InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1
Key Properties
Melting Point
166-168 °C
CAS Common Chemistry
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 |
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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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 244.21 g/mol | CAS Common Chemistry |
| 244.20700000000002 g/mol | RDKit | |
| 244.080769484 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C=1N=CN(N1)C2OC(CO)C(O)C2O | CAS Common Chemistry |
| InChI | InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=IWUCXVSUMQZMFG-AFCXAGJDSA-N | CAS Common Chemistry |
| Melting Point | 166-168 °C | CAS Common Chemistry |
| Name | Ribavirin | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 143.72000000000003 Ų | RDKit |
| LogP | -3.0114999999999994 | RDKit |
| Molar Refractivity | 51.549300000000024 | RDKit |
