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Tramadol Hydrochloride
CAS: 22204-88-2 | C16H26ClNO2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
22204-88-2
Molecular Formula:
C16H26ClNO2
Molecular Mass:
299.84 g/mol
Names and Synonyms:
Tramadol Hydrochloride
Adamon
Contramal
Tradol
Omnidol
cis-Tramadol hydrochloride
Melanate
Zydol
Crispin
NIH 10969
Adolonta
Amadol
Zydol XL 150
Poltram
ULTRAM ER
Trodon
Tridural
Tramundin
Tramal Retard
Allapian
Cyclohexanol, 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-, hydrochloride (1:1), (1R,2R)-rel-
Cyclohexanol, 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-, hydrochloride, cis-(±)-
Cyclohexanol, 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-, hydrochloride, (1R,2R)-rel-
CG 315
(±)-trans-2-[(Dimethylamino)methyl]-1-(m-methoxyphenyl)cyclohexanol hydrochloride
Tramadol hydrochloride
Tramal
Cyclohexanol, 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-, hydrochloride, cis-
Zumatran
Radol
Bellatram
Tadol
Tradol-Puren
Tramagit
Tramagetic
Tramazac
Topalgic
Trabar
Tramed
Tradonal
Tridol
Tramadex
Tramol
Dolana
Mabron
Ultram
Ira-Tramadol
Tedamol
Tramadol-Pharma
Cemadol
Viotra
Dolotram
Abidol
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
Key Properties
Melting Point
180-181 °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 |
|---|
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 | 299.84 g/mol | CAS Common Chemistry |
| 299.8419999999999 g/mol | RDKit | |
| 299.16520675199996 g/mol | RDKit | |
| 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 |
| LogP | 3.0564000000000022 | RDKit |
| Molar Refractivity | 84.65080000000005 | RDKit |
