UCSF

ZINC00968255

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 24 Yes

Other Names:

(+-)-3'-Acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide

(+-)-3'-Acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide monohydrochloride; (1)-N-(3-Acetyl-4-(2-hydroxy-3-((isopropyl)amino)propoxy)phenyl)butyramide monohydrochloride; 3'-Acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide hydrochlori

(+-)-3'-Acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide; (+-)-Acebutolol; (+-)-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-h

(+-)-Acebutolol

(+-)-acebutolol; 3'-acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide; 5'-butyramido-2'-(2-hydroxy-3-isopropylaminopropoxy)acetophenone; Acebutolol; N-(3-acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl)butanamide; N-[3-acetyl-4-[2-hydroxy-3

(+-)-N-(3-Acetyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)butanamide

olol

1-(2-Acetyl-4-n-butyramidophenoxy)-2-hydroxy-3-isopropylaminopropane

28197-63-9

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 (hydrochloride)

34381-68-5; Acebutolol hydrochloride; C07677

34381-68-5; Acebutolol hydrochloride; Prestwick_512

37517-30-9

37517-30-9; Acebutolol (USAN/INN); D02338

5'-Butyramido-2'-(2-hydroxy-3-isopropylaminopropoxy)acetophenone

AB00053574

AC1L1CNH

Acebrutololum

Acebrutololum [INN-Latin]

Acebutolol

Acebutolol (BAN

Acebutolol (USAN/INN)

Acebutolol HCl

Acebutolol HCL;Acebutolol Hydrochloride;Acebutololo;Acetobutolol;Dl-Acebutolol

ACEBUTOLOL HYDROCHLORIDE; CPD000058800; SAM002264591

Acebutolol [USAN:INN:BAN]

acebutolol(1+)

Acebutolol.HCL

acebutolol; acebutololum; acetobutolol

Acebutololo

Acebutololum

Acebutololum [INN-Latin]

Acetobutolol

Acetobutolol [INN-Spanish]

BPBio1_000283

BRD-A29260609-003-05-4

BRN 2162244

BSPBio_000257

BSPBio_001986

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)-,monohydrochloride,( -)-

Butanamide, N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, (.+/-.)-

C06803

C18H28N2O4

CCRIS 9214

CHEBI:2379

CHEMBL642

CID1978

D02338

DAP000484

DB01193

DivK1c_000612

dl-Acebutolol

EINECS 253-539-0

FDA

IDI1_000612

IL-17803A

IL-17803A; M&B-17803A

INN

JAN

JAN)

KBio1_000612

KBio2_000971

KBio2_003539

KBio2_006107

KBio3_001486

KBioGR_001283

KBioSS_000971

L000998

LS-190322

LS-45389

M & B 17803A

M&B-17803 A

M&B-17803A

MFCD00078860

MFCD00599435

MolPort-003-844-375

Monitan

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

N/A

Neptal

NINDS_000612

Prent

Prestwick0_000069

Prestwick1_000069

Prestwick2_000069

Prestwick3_000069

QA-8007

RP 21823

Sectral

SPBio_001499

SPBio_002178

Spectrum2_001340

Spectrum3_000573

Spectrum4_000802

Spectrum5_001399

Spectrum_000491

UNII-67P356D8GH

USAN); Acebutolol HCl (FDA

USAN); Acebutolol Hydrochloride (JAN

USP

USP)

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

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 5.23 -46.84 4 6 1 92 337.44 10
Hi High (pH 8-9.5) 2.25 4.06 -16.74 3 6 0 88 336.432 10

Vendor Notes

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

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.