IUPAC name
1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium
SMILES
C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1
Compound class
Antihypertensive Agents; Nicotinic Antagonists; Ganglionic Blockers;
Therapeutic area
Used to produce controlled hypotension during surgical procedures and in hypertensive crises.
Common name
Pentolinium
IUPAC name
1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium
SMILES
C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1
INCHI
InChI=1S/C15H32N2/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17/h3-15H2,1-2H3/q+2
FORMULA
C15H32N2
Common name
Pentolinium
IUPAC name
1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium
Molecular weight
240.428
clogP
-1.961
clogS
-5.014
HBond Acceptor
0
HBond Donor
0
Total Polar Surface Area
0
Number of Rings
2
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00081 | pentane |
|
CCCCC | 0.0316 |
| FDBF00209 | 1-methylpyrrolidine |
|
N1(CCCC1)C | 0.0076 |
| FDBF02477 | 1,1-dimethyl-2,3,4,5-tetrahydropyrrole |
|
C[N]1(CCCC1)C | 0.0007 |
| FDBF02478 | 1-ethyl-1-methyl-2,3,4,5-tetrahydropyrrole |
|
CC[N]1(CCCC1)C | 0.0003 |
| FDBF02479 | 1-methyl-1-propyl-2,3,4,5-tetrahydropyrrole |
|
CCC[N]1(CCCC1)C | 0.0003 |
| FDBF02480 | 1-butyl-1-methyl-2,3,4,5-tetrahydropyrrole |
|
C(C)CC[N]1(CCCC1)C | 0.0003 |
8 ,
1
