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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
Abidol
Dolotram
Viotra
Cemadol
Tramadol-Pharma
Tedamol
Ira-Tramadol
Ultram
Mabron
Dolana
Tramol
Tramadex
Tridol
Tradonal
Tramed
Trabar
Topalgic
Tramazac
Tramagetic
Tramagit
Tradol-Puren
Tadol
Bellatram
Radol
Zumatran
Cyclohexanol, 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-, hydrochloride, cis-
Tramal
Tramadol hydrochloride
(±)-trans-2-[(Dimethylamino)methyl]-1-(m-methoxyphenyl)cyclohexanol hydrochloride
CG 315
Cyclohexanol, 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-, hydrochloride, (1R,2R)-rel-
Cyclohexanol, 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-, hydrochloride, cis-(±)-
Cyclohexanol, 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-, hydrochloride (1:1), (1R,2R)-rel-
Allapian
Tramal Retard
Tramundin
Tridural
Trodon
ULTRAM ER
Poltram
Zydol XL 150
Amadol
Adolonta
NIH 10969
Crispin
Zydol
Melanate
cis-Tramadol hydrochloride
Omnidol
Tradol
Contramal
Adamon
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 |
