Input interpretation
(s)-2-hydroxy-2-phenylpropionic acid;(s)-alpha-methylmandelic acid | metoprolol
Chemical names and formulas
![| (s)-2-hydroxy-2-phenylpropionic acid;(s)-alpha-methylmandelic acid | metoprolol formula | C_9H_10O_3 | C_15H_25NO_3 Hill formula | C_9H_10O_3 | C_15H_25NO_3 name | (s)-2-hydroxy-2-phenylpropionic acid;(s)-alpha-methylmandelic acid | metoprolol IUPAC name | (2S)-2-hydroxy-2-phenylpropanoic acid | 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol mass fractions | C (carbon) 65.1% | H (hydrogen) 6.07% | O (oxygen) 28.9% | C (carbon) 67.4% | H (hydrogen) 9.43% | N (nitrogen) 5.24% | O (oxygen) 18%](../image_source/b9efb03e73badae140574509bab4f809.png)
| (s)-2-hydroxy-2-phenylpropionic acid;(s)-alpha-methylmandelic acid | metoprolol formula | C_9H_10O_3 | C_15H_25NO_3 Hill formula | C_9H_10O_3 | C_15H_25NO_3 name | (s)-2-hydroxy-2-phenylpropionic acid;(s)-alpha-methylmandelic acid | metoprolol IUPAC name | (2S)-2-hydroxy-2-phenylpropanoic acid | 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol mass fractions | C (carbon) 65.1% | H (hydrogen) 6.07% | O (oxygen) 28.9% | C (carbon) 67.4% | H (hydrogen) 9.43% | N (nitrogen) 5.24% | O (oxygen) 18%
Structure diagrams
| (s)-2-hydroxy-2-phenylpropionic acid;(s)-alpha-methylmandelic acid | metoprolol vertex count | 12 | 19 edge count | 14 | 21 Schultz index | 764 | 3559 Wiener index | 188 | 906 Hosoya index | 204 | 6202 Balaban index | 2.532 | 2.053
3D structure
3D structure
Basic properties
| (s)-2-hydroxy-2-phenylpropionic acid;(s)-alpha-methylmandelic acid | metoprolol molar mass | 166.18 g/mol | 267.37 g/mol phase | solid (at STP) | solid (at STP) melting point | | 120 °C
Units
Hydrophobicity and permeability properties
| (s)-2-hydroxy-2-phenylpropionic acid;(s)-alpha-methylmandelic acid | metoprolol experimental LogP hydrophobicity | | 1.6 predicted LogP hydrophobicity | 1.07 | 1.8 predicted LogS | -0.93 | -2.82 experimental Caco-2 permeability | | -4.59
Drug interactions
metoprolol | acetohexamide | amobarbital | allylpropymal | butabarbital | butalbital | butethal | chlorpropamide | cimetidine | citalopram | clonidine | dihydroergotamine | dihydroergotoxine | dihydroquinidine barbiturate | diltiazem | disopyramide | epinephrine | ergonovine | ergotamine tartrate | escitalopram | fenoterol | ... (total: 61)