IUPAC name
N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethane-1-sulfonamide
SMILES
CNS(=O)(=O)CCC1=CC2=C(NC=C2C2CCN(C)CC2)C=C1
Compound class
Analgesics; Serotonin Antagonists; Serotonin Receptor Agonists; Nervous System; Selective Serotonin (5Ht1) Agonists; Antimigraine Preparations;
Therapeutic area
For the acute treatment of migraine attacks with or without aura in adults.
Common name
Naratriptan
IUPAC name
N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethane-1-sulfonamide
SMILES
CNS(=O)(=O)CCC1=CC2=C(NC=C2C2CCN(C)CC2)C=C1
INCHI
InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3
FORMULA
C17H25N3O2S
Common name
Naratriptan
IUPAC name
N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethane-1-sulfonamide
Molecular weight
335.464
clogP
2.402
clogS
-4.703
HBond Acceptor
3
HBond Donor
2
Total Polar Surface Area
65.2
Number of Rings
3
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00010 | indole |
|
[nH]1ccc2c1cccc2 | 0.0086 |
| FDBF00283 | BLAH |
|
S(=O)O | 0.0244 |
| FDBF00317 | (dihydroxy-λ3-sulfanyl)methane |
|
C[S](O)O | 0.0141 |
| FDBF00322 | (dihydroxy-λ3-sulfanyl)ethane |
|
C(C)[S](O)O | 0.0055 |
| FDBF00576 | N-(dihydroxy-λ3-sulfanyl)methanamine |
|
CN[S](O)O | 0.0038 |
| FDBF00663 | 1-methylpiperidine |
|
CN1CCCCC1 | 0.0172 |
| FDBF01539 | N-methylmethanesulfonamide |
|
CS(=O)(=O)NC | 0.0017 |
| FDBF02158 | N-methylethanesulfonamide |
|
N(C)S(=O)(=O)CC | 0.0003 |
9 ,
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