| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 24 | Yes |
Popular Name: Labetalol hydrochloride Labetalol hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 32780-64-6 , 32780-64-6, 36894-69-6 [l , 32780-64-6, 36894-69-6 [labetalol] , 36894-69-6 , [32780-64-6] , [36894-69-6]
2-Hydroxy-5-(1-hydroxy-2-((1-methyl-3-phenylpropyl)amino)ethyl)benzamide
2-Hydroxy-5-(1-hydroxy-2-((4-phenylbutan-2-yl)amino)ethyl)benzamide
2-Hydroxy-5-(1-hydroxy-2-((4-phenylbutan-2-yl)amino)ethyl)benzamide hydrochloride
2-Hydroxy-5-(1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl)benzamide HCl
2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide hydrochloride
2-Hydroxy-5-[1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]ethyl]benzamide hydrochloride
2-hydroxy-5-{1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]ethyl}benzamide
3-Carboxamido-4-hydroxy-alpha-((1-methyl-3-phenylpropylamino)methyl)benzyl alcohol
32780-64-6; CPD000058463; LABETALOL HYDROCHLORIDE; SAM002564217
32780-64-6; D00600; Labetalol hydrochloride (JP16/USP); Normodyne (TN); Trandate (TN)
32780-64-6; Labetalol hydrochloride; Prestwick_290
36894-69-6; D08106; Labetalol (INN)
5-(1-Hydroxy-2-(1-methyl-3-phenylpropylamino)ethyl)salicylamide
Benzamide, 2-hydroxy-5-(1-hydroxy-2-((1-methyl-3-phenylpropyl)amino)ethyl)-
Benzamide, 2-hydroxy-5-[1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]ethyl]-
CPD000058463; Labetalol hydrochloride; SAM002564217
INN); Labetalol Hydrochloride (FDA
Labetalolum [INN-Latin];Labetolol
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.85 | 3.42 | -60.25 | 6 | 5 | 1 | 100 | 329.42 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.85 | 4.43 | -83.73 | 5 | 5 | 0 | 103 | 328.412 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 4.412 | Bitter DB |
| ALOGPS_SOLUBILITY | 5.78e-03 g/l | DrugBank-approved |
| Purity | 95% | Fluorochem |
| Therapy | adrenergic blocker | SMDC Iconix |
| Target | Adrenergic Receptor | Selleck Chemicals |
| Indications | antihypertensive, pregnancy induced hypertension | KeyOrganics Bioactives |
| Patent Database Links | EP1479666; EP1669345; EP1700601; EP1762236; EP1785144; EP1862181; EP1990049; GB2227664; GB2321455; US2001006962; US2002061879; US2002115655; US2002143007; US2003153544; US2004063677; US2004147575; US2005065161; US2005065209; US2005075367; US2005187222; US | ChEBI |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : L-4434; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER; 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: L-4434; SALT: 1 hydrogen chloride; SUPPLIER_COMMENTS: WHITE POWDER | NIH Clinical Collection via PubChem |
