IUPAC name
(1-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
SMILES
CN1CCCN=C1COC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1
Compound class
Cholinergic Antagonists; Antispasmodics; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Esters With Tertiary Amino Group;
Therapeutic area
For the treatment of peptic ulcer disease and the relief of smooth muscle spasms in gastrointestinal disorders.
Common name
Oxyphencyclimine
IUPAC name
(1-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
SMILES
CN1CCCN=C1COC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1
INCHI
InChI=1S/C20H28N2O3/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17,24H,3,6-8,11-15H2,1H3
FORMULA
C20H28N2O3
Common name
Oxyphencyclimine
IUPAC name
(1-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
Molecular weight
344.448
clogP
3.498
clogS
-3.475
HBond Acceptor
5
HBond Donor
1
Total Polar Surface Area
62.13
Number of Rings
3
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00105 | methyl formate |
|
O(C=O)C | 0.0323 |
| FDBF00392 | methyl (2R)-2-cyclohexyl-2-hydroxy-acetate |
|
C1(CCCCC1)C(O)C(=O)OC | 0.0010 |
| FDBF00394 | cyclohexylmethanol |
|
C1(CCCCC1)CO | 0.0021 |
| FDBF00840 | 1-methyl-5,6-dihydro-4H-pyrimidine |
|
N1(C=NCCC1)C | 0.0003 |
