IUPAC name
(3S)-3-(aminomethyl)-5-methylhexanoic acid
SMILES
CC(C)C[C@H](CN)CC(O)=O
Compound class
Anti-Anxiety Agents; Analgesics; Anticonvulsants; Calcium Channel Blockers; Nervous System; Antiepileptics;
Therapeutic area
Pregabalin is used for the management of neuropathic pain associated with diabetic peripheral neuropathy or spinal cord injury, and postherpetic neuralgia. It is also used as adjunctive therapy for adult patients with partial onset seizures and management of fibromyalgia.
Common name
Pregabalin
IUPAC name
(3S)-3-(aminomethyl)-5-methylhexanoic acid
SMILES
CC(C)C[C@H](CN)CC(O)=O
INCHI
InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
FORMULA
C8H17NO2
Common name
Pregabalin
IUPAC name
(3S)-3-(aminomethyl)-5-methylhexanoic acid
Molecular weight
159.226
clogP
0.667
clogS
-0.969
HBond Acceptor
2
HBond Donor
3
Total Polar Surface Area
63.32
Number of Rings
0
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00004 | acetic acid |
|
CC(=O)O | 0.0687 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00025 | propan-1-amine |
|
CCCN | 0.0292 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00047 | propionic acid |
|
CCC(=O)O | 0.0395 |
| FDBF00061 | butyric acid |
|
CCCC(=O)O | 0.0131 |
| FDBF00115 | 2-methylbutane |
|
C(C)(C)CC | 0.0103 |
| FDBF00470 | 4-methylpentan-1-amine |
|
C(C)(C)CCCN | 0.0007 |
9 ,
1
