IUPAC name
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
SMILES
CCCCN1CCCC[C@H]1C(=O)NC1=C(C)C=CC=C1C
Compound class
Anesthetics, Local; Anesthetics; Nervous System; Amides; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP3A4 Inhibitors;
Therapeutic area
For the production of local or regional anesthesia for surgery and obstetrics, and for post-operative pain management.
Common name
Levobupivacaine
IUPAC name
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
SMILES
CCCCN1CCCC[C@H]1C(=O)NC1=C(C)C=CC=C1C
INCHI
InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1
FORMULA
C18H28N2O
Common name
Levobupivacaine
IUPAC name
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
Molecular weight
288.428
clogP
3.815
clogS
-4.808
HBond Acceptor
2
HBond Donor
1
Total Polar Surface Area
32.34
Number of Rings
2
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00502 | m-xylene |
|
c1c(cccc1C)C | 0.0144 |
| FDBF00665 | (2S)-1-methylpiperidine-2-carboxamide |
|
CN1C(CCCC1)C(=O)N | 0.0010 |
| FDBF00670 | piperidine |
|
N1CCCCC1 | 0.0199 |
| FDBF00671 | 1-ethylpiperidine |
|
N1(CCCCC1)CC | 0.0106 |
| FDBF00673 | 1-butylpiperidine |
|
C(C)CCN1CCCCC1 | 0.0014 |
14 ,
2
