Compound Summary
Compound Information
Labetalol hydrochloride
Compound Name: | Labetalol hydrochloride |
Compound CID: | 71412 |
Synonyms: | Labetalol hydrochloride |
Iupac Name: | 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride |
InChI: | InChI=1S/C19H24N2O3.ClH/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24;/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24);1H |
InChIKey: | WQVZLXWQESQGIF-UHFFFAOYSA-N |
Canonical Smiles: | CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O.Cl |
Isomeric Smiles: | CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O.Cl |
Molecular Weight: | 364.9 |
Molecular Formula: | C19H25ClN2O3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Labetalol hydrochloride
Molecular Weight: | 364.9 |
Molecular Formula: | C19H25ClN2O3 |
Hydrogen Bond Donor Count: | 5 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 8 |
Heavy Atom Count: | 25 |
Complexity: | 385 |
Synonyms
Labetalol hydrochloride
Experimental Data
Labetalol hydrochloride
Experimental Data Visualization
Labetalol hydrochloride
Statistics Data
Labetalol hydrochloride
Statistics Data Visualization
Labetalol hydrochloride
