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Molecule
Tramadol Hydrochloride
CAS: 22204-88-2 · C16H26ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 22204-88-2
- Molecular Formula
- C16H26ClNO2
- Molecular Mass
- 299.84 g/mol
Identifiers
CAS Registry Number
22204-88-2
SMILES
COc1cccc([C@]2(O)CCCC[C@H]2CN(C)C)c1.Cl
InChI Key
PPKXEPBICJTCRU-NDFJEYLFNA-N
InChI
InChI=1/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14-,16+;/s2
Names and Synonyms
- Tramadol Hydrochloride Common Name
- Adamon Synonym
- Contramal Synonym
- Tradol Synonym
- Omnidol Synonym
- cis-Tramadol hydrochloride Synonym
- Melanate Synonym
- Zydol Synonym
- Crispin Synonym
- NIH 10969 Synonym
- Adolonta Synonym
- Amadol Synonym
- Zydol XL 150 Synonym
- Poltram Synonym
- ULTRAM ER Synonym
- Trodon Synonym
- Tridural Synonym
- Tramundin Synonym
- Tramal Retard Synonym
- Allapian Synonym
- Cyclohexanol, 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-, hydrochloride (1:1), (1R,2R)-rel- Synonym
- Cyclohexanol, 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-, hydrochloride, cis-(±)- Synonym
- Cyclohexanol, 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-, hydrochloride, (1R,2R)-rel- Synonym
- CG 315 Synonym
- (±)-trans-2-[(Dimethylamino)methyl]-1-(m-methoxyphenyl)cyclohexanol hydrochloride Synonym
- Tramadol hydrochloride Synonym
- Tramal Synonym
- Cyclohexanol, 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-, hydrochloride, cis- Synonym
- Zumatran Synonym
- Radol Synonym
- Bellatram Synonym
- Tadol Synonym
- Tradol-Puren Synonym
- Tramagit Synonym
- Tramagetic Synonym
- Tramazac Synonym
- Topalgic Synonym
- Trabar Synonym
- Tramed Synonym
- Tradonal Synonym
- Tridol Synonym
- Tramadex Synonym
- Tramol Synonym
- Dolana Synonym
- Mabron Synonym
- Ultram Synonym
- Ira-Tramadol Synonym
- Tedamol Synonym
- Tramadol-Pharma Synonym
- Cemadol Synonym
- Viotra Synonym
- Dolotram Synonym
- Abidol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 299.84 g/mol | CAS Common Chemistry |
| 299.8419999999999 g/mol | RDKit | |
| 299.842 g/mol | RDKit | |
| 299.839 g/mol | chempirical lib | |
| Canonical SMILES | Cl.OC1(C=2C=CC=C(OC)C2)CCCCC1CN(C)C | CAS Common Chemistry |
| InChI | InChI=1/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14-,16+;/s2 | CAS Common Chemistry |
| InChI Key | InChIKey=PPKXEPBICJTCRU-NDFJEYLFNA-N | CAS Common Chemistry |
| Melting Point | 180-181 °C | CAS Common Chemistry |
| Name | Tramadol hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.7 Ų | RDKit |
| 32.47 Ų | chempirical lib | |
| LogP | 3.0564000000000022 | RDKit |
| 3.0564 | RDKit | |
| Molar Refractivity | 84.65080000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.625 | RDKit |
| 0.62 | chempirical lib | |
| Exact Mass | 299.16520675199996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
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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.
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MW = 299.84 g/mol. Edit any field — others recompute live.
