IUPAC name
(2E)-3-{6-[(1E)-1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl]pyridin-2-yl}prop-2-enoic acid
SMILES
[H]\C(CN1CCCC1)=C(\C1=CC=C(C)C=C1)C1=CC=CC(=N1)C(\[H])=C(/[H])C(O)=O
Compound class
Respiratory System; Antihistamines for Systemic Use;
Therapeutic area
For the relief of symptoms associated with seasonal allergic rhinitis such as sneezing, rhinorrhea, pruritus, lacrimation, and nasal congestion.
Common name
Acrivastine
IUPAC name
(2E)-3-{6-[(1E)-1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl]pyridin-2-yl}prop-2-enoic acid
SMILES
[H]\C(CN1CCCC1)=C(\C1=CC=C(C)C=C1)C1=CC=CC(=N1)C(\[H])=C(/[H])C(O)=O
INCHI
InChI=1S/C22H24N2O2/c1-17-7-9-18(10-8-17)20(13-16-24-14-2-3-15-24)21-6-4-5-19(23-21)11-12-22(25)26/h4-13H,2-3,14-16H2,1H3,(H,25,26)/b12-11+,20-13+
FORMULA
C22H24N2O2
Common name
Acrivastine
IUPAC name
(2E)-3-{6-[(1E)-1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl]pyridin-2-yl}prop-2-enoic acid
Molecular weight
348.438
clogP
4.473
clogS
-4.235
HBond Acceptor
4
HBond Donor
1
Total Polar Surface Area
53.43
Number of Rings
3
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00022 | prop-1-ene |
|
CC=C | 0.0299 |
| FDBF00209 | 1-methylpyrrolidine |
|
N1(CCCC1)C | 0.0076 |
| FDBF00928 | 2-vinylpyridine |
|
n1c(cccc1)C=C | 0.0010 |
| FDBF00929 | 1-allylpyrrolidine |
|
N1(CCCC1)CC=C | 0.0014 |
| FDBF00930 | 2-[(E)-prop-1-enyl]pyridine |
|
n1c(cccc1)C=CC | 0.0007 |
| FDBF00931 | 2-[(E)-3-pyrrolidin-1-ylprop-1-enyl]pyridine |
|
n1c(cccc1)C=CCN2CCCC2 | 0.0007 |
| FDBF01971 | acrylic acid |
|
O=C(O)C=C | 0.0027 |
| FDBF04454 | (E)-3-(2-pyridyl)prop-2-enoic acid |
|
C(=CC(=O)O)c1ccccn1 | 0.0003 |
| FDBF04455 | (E)-3-(6-vinyl-2-pyridyl)prop-2-enoic acid |
|
C(=CC(=O)O)c1cccc(n1)C=C | 0.0003 |
| FDBF04456 | (E)-3-[6-[(E)-prop-1-enyl]-2-pyridyl]prop-2-enoic acid |
|
C(=CC(=O)O)c1cccc(n1)C=CC | 0.0003 |
