IUPAC name
3-[(2-hydroxy-2-phenylacetyl)oxy]-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium bromide
SMILES
[Br-].C[N+]1(C)C2CCC1CC(C2)OC(=O)C(O)C1=CC=CC=C1
Compound class
Muscarinic Antagonists; Antispasmodics; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders;
Therapeutic area
Used in conjunction with antacids or histamine H2-receptor antagonists in the treatment of peptic ulcers, gastric ulcers and duodenal ulcers, to reduce further gastric acid secretion and delay gastric emptying.
Common name
Homatropine Methylbromide
IUPAC name
3-[(2-hydroxy-2-phenylacetyl)oxy]-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium bromide
SMILES
[Br-].C[N+]1(C)C2CCC1CC(C2)OC(=O)C(O)C1=CC=CC=C1
INCHI
InChI=1S/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1
FORMULA
C17H24BrNO3
Common name
Homatropine Methylbromide
IUPAC name
3-[(2-hydroxy-2-phenylacetyl)oxy]-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium bromide
Molecular weight
290.377
clogP
-0.719
clogS
-2.874
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
46.53
Number of Rings
3
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00723 | 2-hydroxyacetic acid |
|
OCC(=O)O | 0.0086 |
| FDBF01169 | (1R,5S)-8,8-dimethyl-8λ4-azabicyclo[3.2.1]octane |
|
C12[N](C(CC1)CCC2)(C)C | 0.0007 |
| FDBF01692 | (2S)-2-hydroxy-2-phenyl-acetic acid |
|
OC(=O)C(O)c1ccccc1 | 0.0003 |
| FDBF01693 | [(1R,5S)-8,8-dimethyl-8λ4-azabicyclo[3.2.1]octan-3-yl] 2-hydroxyacetate |
|
C12[N](C(CC1)CC(C2)OC(=O)CO)(C)C | 0.0003 |
