IUPAC name
(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
SMILES
COC1=CC=CC(=C1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Compound class
Analgesics; Analgesics, Opioid; Narcotics; Nervous System; Opioids; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
Indicated in the treatment of moderate to severe pain. Consider for those prone to constipation or respiratory depression. Tramadol is used to treat postoperative, dental, cancer, and acute musculosketetal pain and as an adjuvant to NSAID therapy in patients with osteoarthritis.
Common name
Tramadol
IUPAC name
(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
SMILES
COC1=CC=CC(=C1)[C@@]1(O)CCCC[C@@H]1CN(C)C
INCHI
InChI=1S/C16H25NO2/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/t14-,16+/m1/s1
FORMULA
C16H25NO2
Common name
Tramadol
IUPAC name
(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
Molecular weight
263.375
clogP
2.690
clogS
-3.288
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
32.7
Number of Rings
2
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00064 | N,N-dimethylmethanamine |
|
N(C)(C)C | 0.0371 |
| FDBF00066 | N-methylmethanamine |
|
N(C)C | 0.0914 |
| FDBF00211 | anisole |
|
COc1ccccc1 | 0.0423 |
| FDBF00245 | (1R,2S)-2-methylcyclohexanol |
|
CC1C(CCCC1)O | 0.0003 |
| FDBF00246 | (1R,2R)-2-(dimethylaminomethyl)cyclohexanol |
|
N(C)(C)CC1C(CCCC1)O | 0.0003 |
| FDBF00247 | (1R,2R)-2-(dimethylaminomethyl)-1-phenyl-cyclohexanol |
|
N(C)(C)CC1C(CCCC1)(O)c2ccccc2 | 0.0003 |
| FDBF00248 | cyclohexanol |
|
C1C(CCCC1)O | 0.0024 |
