| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 24 | Yes |
Popular Name: Acebutolol hydrochloride Acebutolol hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1189500-68-2 , 34381-68-5 , 34381-68-5, 37517-30-9 [a , 34381-68-5, 37517-30-9 [acebutolol] , 37517-30-9 , [34381-68-5]
(+-)-3'-Acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide
(+-)-N-(3-Acetyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)butanamide
1-(2-Acetyl-4-n-butyramidophenoxy)-2-hydroxy-3-isopropylaminopropane
3'-(Acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide
3'-Acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide
3'-Acetyl-4'-(2-hydroxy-3-isopropylaminopropoxy)butyranilid
34381-68-5; Acebutolol hydrochloride; C07677
34381-68-5; Acebutolol hydrochloride; Prestwick_512
37517-30-9; Acebutolol (USAN/INN); D02338
5'-Butyramido-2'-(2-hydroxy-3-isopropylaminopropoxy)acetophenone
Acebutolol HCL;Acebutolol Hydrochloride;Acebutololo;Acetobutolol;Dl-Acebutolol
ACEBUTOLOL HYDROCHLORIDE; CPD000058800; SAM002264591
acebutolol; acebutololum; acetobutolol
Butanamide, N-(3-acetyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-, (+-)-
Butanamide, N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, (.+/-.)-
N-(3-Acetyl-4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)butyramide
N-(3-Acetyl-4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)butyramide hydrochloride
N-(3-Acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl)butanamide
N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide
N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]butanamide
N-{3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}butanamide
| 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) | 2.25 | 5.25 | -46.91 | 4 | 6 | 1 | 92 | 337.44 | 10 | ↓ |
| Hi High (pH 8-9.5) | 2.25 | 4.04 | -16.72 | 3 | 6 | 0 | 88 | 336.432 | 10 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.72e-01 g/l | DrugBank-approved |
| Purity | 95% | Fluorochem |
| Target | Adrenergic Receptor | Selleck Chemicals |
| Therapy | antihypertensive, antianginal, antiarrhythmic | SMDC MicroSource |
| Patent Database Links | EP1541175; EP1602334; EP1746099; EP1785144; EP1790353; EP1815846; EP1829527; EP1829528; EP1862181; EP1889847; GB2227664; US2002082300; US2002115655; US2004147575; US2005065209; US2006258652; US2007190023; US2007191371; US2007191438; US2007203155; US200720 | ChEBI |
| Indications | hypertension | KeyOrganics Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : A-2996; 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: A-2996; SALT: 1 hydrogen chloride | NIH Clinical Collection via PubChem |
No pre-computed analogs available. Try a structural similarity search.