IUPAC name
6-methoxy-N-{[1-(prop-2-en-1-yl)pyrrolidin-2-yl]methyl}-2H-1,2,3-benzotriazole-5-carboxamide
SMILES
COC1=CC2=NNN=C2C=C1C(=O)NCC1CCCN1CC=C
Compound class
Antiemetics; Prokinetic Agents; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Propulsives;
Therapeutic area
Alizapride is used in the treatment of nausea and vomiting, including postoperative nausea and vomiting.
Common name
Alizapride
IUPAC name
6-methoxy-N-{[1-(prop-2-en-1-yl)pyrrolidin-2-yl]methyl}-2H-1,2,3-benzotriazole-5-carboxamide
SMILES
COC1=CC2=NNN=C2C=C1C(=O)NCC1CCCN1CC=C
INCHI
InChI=1S/C16H21N5O2/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20)
FORMULA
C16H21N5O2
Common name
Alizapride
IUPAC name
6-methoxy-N-{[1-(prop-2-en-1-yl)pyrrolidin-2-yl]methyl}-2H-1,2,3-benzotriazole-5-carboxamide
Molecular weight
315.370
clogP
2.054
clogS
-3.816
HBond Acceptor
5
HBond Donor
2
Total Polar Surface Area
83.14
Number of Rings
3
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00022 | prop-1-ene |
|
CC=C | 0.0299 |
| FDBF00209 | 1-methylpyrrolidine |
|
N1(CCCC1)C | 0.0076 |
| FDBF00690 | pyrrolidine |
|
N1CCCC1 | 0.0072 |
| FDBF00855 | (2R)-2-methylpyrrolidine |
|
CC1NCCC1 | 0.0014 |
| FDBF00857 | N-[[(2S)-pyrrolidin-2-yl]methyl]formamide |
|
C(NC=O)C1NCCC1 | 0.0010 |
| FDBF00929 | 1-allylpyrrolidine |
|
N1(CCCC1)CC=C | 0.0014 |
| FDBF03025 | N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]formamide |
|
N1(C(CCC1)CNC=O)C | 0.0003 |
| FDBF03026 | (2R)-1-allyl-2-methyl-pyrrolidine |
|
N1(C(CCC1)C)CC=C | 0.0003 |
| FDBF03027 | 1H-benzotriazole |
|
[nH]1nnc2c1cccc2 | 0.0003 |
