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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 Weight:
299.8419999999999 g/mol
Names and Synonyms:
Tramadol Hydrochloride
Common Name
Abidol
Synonym
Dolotram
Synonym
Viotra
Synonym
Cemadol
Synonym
Tramadol-Pharma
Synonym
Tedamol
Synonym
Ira-Tramadol
Synonym
Ultram
Synonym
Mabron
Synonym
Dolana
Synonym
Tramol
Synonym
Tramadex
Synonym
Tridol
Synonym
Tradonal
Synonym
Tramed
Synonym
Trabar
Synonym
Topalgic
Synonym
Tramazac
Synonym
Tramagetic
Synonym
Tramagit
Synonym
Tradol-Puren
Synonym
Tadol
Synonym
Bellatram
Synonym
Radol
Synonym
Zumatran
Synonym
Cyclohexanol, 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-, hydrochloride, cis-
Synonym
Tramal
Synonym
Tramadol hydrochloride
Synonym
(±)-trans-2-[(Dimethylamino)methyl]-1-(m-methoxyphenyl)cyclohexanol hydrochloride
Synonym
CG 315
Synonym
Cyclohexanol, 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-, hydrochloride, (1R,2R)-rel-
Synonym
Cyclohexanol, 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-, hydrochloride, cis-(±)-
Synonym
Cyclohexanol, 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-, hydrochloride (1:1), (1R,2R)-rel-
Synonym
Allapian
Synonym
Tramal Retard
Synonym
Tramundin
Synonym
Tridural
Synonym
Trodon
Synonym
ULTRAM ER
Synonym
Poltram
Synonym
Zydol XL 150
Synonym
Amadol
Synonym
Adolonta
Synonym
NIH 10969
Synonym
Crispin
Synonym
Zydol
Synonym
Melanate
Synonym
cis-Tramadol hydrochloride
Synonym
Omnidol
Synonym
Tradol
Synonym
Contramal
Synonym
Adamon
Synonym
Identifiers:
SMILES:
COc1cccc([C@]2(O)CCCC[C@H]2CN(C)C)c1.Cl
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
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 | 299.8419999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 299.16520675199996 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 20 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 32.7 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 3.0564000000000022 | RDKit |
| molecular_mass | 299.84 g/mol | Legacy Database |
| cas-canonical-smile | Cl.OC1(C=2C=CC=C(OC)C2)CCCCC1CN(C)C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=PPKXEPBICJTCRU-NDFJEYLFNA-N None | Legacy Database |
| cas-melting-point | 180-181 °C None | Legacy Database |
| cas-name | Tramadol hydrochloride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 84.65080000000005 | RDKit |