IUPAC name
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide
SMILES
CCCN1CCCC[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; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
Used in obstetric anesthesia and regional anesthesia for surgery.
Common name
Ropivacaine
IUPAC name
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide
SMILES
CCCN1CCCC[C@H]1C(=O)NC1=C(C)C=CC=C1C
INCHI
InChI=1S/C17H26N2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1
FORMULA
C17H26N2O
Common name
Ropivacaine
IUPAC name
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide
Molecular weight
274.401
clogP
3.427
clogS
-4.408
HBond Acceptor
2
HBond Donor
1
Total Polar Surface Area
32.34
Number of Rings
2
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00495 | N-(2,6-dimethylphenyl)formamide |
|
O=CNc1c(cccc1C)C | 0.0065 |
| FDBF00502 | m-xylene |
|
c1c(cccc1C)C | 0.0144 |
| FDBF00665 | (2S)-1-methylpiperidine-2-carboxamide |
|
CN1C(CCCC1)C(=O)N | 0.0010 |
| FDBF00666 | 1-propylpiperidine |
|
C(C)CN1CCCCC1 | 0.0041 |
| FDBF00669 | (2S)-1-propylpiperidine-2-carboxamide |
|
C(C)CN1C(CCCC1)C(=O)N | 0.0003 |
| FDBF00670 | piperidine |
|
N1CCCCC1 | 0.0199 |
