UCSF

ZINC19632692

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 21 Yes

Popular Name: Procaterol Procaterol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 59828-07-8 , 59828-07-8; 62929-91-3; 81262-93-3 , 62929-91-3 , 72332-33-3 , [72332-33-3] , [81262-93-3]

Other Names:

(R*,S*)-(+-)-8-Hydroxy-5-(1-hydroxy-2-((1-methylethyl)amino)butyl)-2(1H)-quinolinone

(R*,S*)-(1)-8-Hydroxy-5-(1-hydroxy-2-(isopropylamino)butyl)quinolin-2(1H)-one monohydrochloride; 2(1H)-Quinolinone, 8-hydroxy-5-(1-hydroxy-2-((1-methylethyl)amino)butyl)-, monohydrochloride, (R*,S*)-(+-)-; 2(1H)-Quinolinone, 8-hydroxy-5-(1-hydroxy-2-((1-m

terol

2(1H)-Quinolinone, 8-hydroxy-5-(1-hydroxy-2-((1-methylethyl)amino)butyl)-

2(1H)-Quinolinone, 8-hydroxy-5-(1-hydroxy-2-((1-methylethyl)amino)butyl)-, (R*,S*)-(+-)-

5-[1-hydroxy-2-(propan-2-ylamino)butyl]quinoline-2,8-diol

59828-07-8; D02404; Pro-Air (TN); Procaterol hydrochloride (USAN)

60443-17-6

62929-91-3 (mono-hydrochloride)

72332-33-3

72332-33-3; D08424; Meptin (TN); Procaterol (INN)

8-Hydroxy-5-(1-hydroxy-2-((1-methylethyl)amino)butyl)-2(1H)-quinolinone

8-Hydroxy-5-(1-hydroxy-2-((1-methylethyl)amino)butyl)-2(1H)-quinolinone (R*,S*)-(+-)-

8-Hydroxy-5-(1-hydroxy-2-isopropylamino-butyl)-1H-quinolin-2-one

8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one

AC-13705

AC1L1J8G

AC1Q6I3X

AR-1J3938

BRD-A22684332-003-02-3

BSPBio_003239

CHEMBL160519

CI-888

CID4916

D08424

DAP000944

EINECS 276-590-0

INN); Procaterol HCl (JAN

INN); Procaterol Hydrochloride (JAN

KBio3_002739

L023776

LS-142797

Masacin Aerosol

Meptin

Meptin (TN)

MFCD00872222

MFCD01750015

MFCD04221378

MolPort-005-934-511

NSC 308904

NSC308904

Onsukil Aerosol

OPC-2009

Pro-Air

Procadil Aerosol

Procaterol (BAN

Procaterol (INN)

Procaterol HCl hemihydrate

Procaterol Hydrochloride

Procaterol hydrochloride hemihydrate

Procaterol Monohydrochloride

Procaterol [INN:BAN]

Procaterolo

Procaterolo [DCIT]

Procaterolum

Procaterolum [INN-Latin]

Procaterolum [Latin]

SPBio_001400

Spectrum2_001550

Spectrum3_001770

STK632659

USAN)

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) 1.66 1.37 -72.17 4 5 0 93 290.363 5 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.29e-01 g/l DrugBank-approved
mechanism A long-acting beta-2 Adrenergic receptor agonist IBScreen Bioactives
mechanism Bronchodilator IBScreen Bioactives
biological_use Bronchodilator agent IBScreen Bioactives IBScreen Bioactives
mechanism Bronchodilator IBScreen Bioactives
PUBCHEM_PATENT_ID EP0147719A2; EP0167451A2; EP0167825A2; EP0171969A2; EP0190449A1; EP0214009A2; EP0239798A1; EP0255485A2; EP0258356B1; EP0260241A1; EP0261429A1; EP0264951A2; EP0264951B1; EP0277352A1; EP0277352B1; EP0288734B1; EP0295212A2; EP0301589A2; EP0301589B1; EP034155 IBM Patent Data
biological_use Sympathomimetic IBScreen Bioactives

Activity (Go SEA)

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