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Details

Stereochemistry RACEMIC
Molecular Formula 2C16H22N2O3.2ClH.H2O
Molecular Weight 671.652
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROCATEROL HYDROCHLORIDE HEMIHYDRATE

SMILES

O.Cl.Cl.CC[C@@H](NC(C)C)[C@@H](O)C1=CC=C(O)C2=C1C=CC(=O)N2.CC[C@@H](NC(C)C)[C@@H](O)C3=CC=C(O)C4=C3C=CC(=O)N4

InChI

InChIKey=RZKAQAPBCFPJTK-GOPHCVLGSA-N
InChI=1S/2C16H22N2O3.2ClH.H2O/c2*1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15;;;/h2*5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20);2*1H;1H2/t2*12-,16+;;;/m11.../s1

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H22N2O3
Molecular Weight 290.3575
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/894683

Procaterol is a beta2-adrenoreceptor agonist. It is a bronchodilator that may be administered orally or by aerosol inhalation for the treatment of dyspnea caused by bronchial asthma, chronic bronchitis, and pulmonary emphysema. The drug is not approved in the USA, but is available in Japan, Indonesia, and other countries worldwide.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P07550|||Q53GA6|||Q9UCZ3
Gene ID: 154.0
Gene Symbol: ADRB2
Target Organism: Homo sapiens (Human)
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
MEPTIN

Approved Use

For the treatment of dyspnea caused by bronchial asthma, chronic bronchitis, and pulmonary emphysema
Primary
MEPTIN

Approved Use

For the treatment of dyspnea caused by bronchial asthma, chronic bronchitis, and pulmonary emphysema.
Primary
MEPTIN

Approved Use

For the treatment of dyspnea caused by bronchial asthma, chronic bronchitis, and pulmonary emphysema.
PubMed

PubMed

TitleDatePubMed
Beta2-adrenoceptors on the glial cells mediate the induction of interleukin-1beta mRNA in the rat brain.
1997 Oct 3
Functional and molecular characterization of beta-adrenoceptors in the internal anal sphincter.
2003 May
The selectivity of beta-adrenoceptor agonists at human beta1-, beta2- and beta3-adrenoceptors.
2010 Jul
Interactions between theophylline and salbutamol on cytokine release in human monocytes.
2010 Jul
Patents

Sample Use Guides

Meptin tablets: the usual adult dose is 50 µg (one tablet) once before bed or twice daily (in the morning and before bed) by the oral route. Meptin air: in general, for adults, inhale 2 puffs (20 mcg of active ingredient) at a time, and for children, inhale 1 puff (10 mcg of active ingredient) at a time. The dosage may be adjusted according to your disease, age, or symptoms. Strictly follow the instructed dosing schedule. The maximum dosage is restricted to 4 times daily (8 puffs for adults and 4 puffs for children).
Route of Administration: Other
To study the beta2-blocking activity of procaterol, a guinea pig tracheal test was performed. The trachea was excised from male guinea pigs. A spiral section of the trachea was prepared and suspended in a 30-ml tissue bath. The condition of the tracheal muscle was monitored by isometric recordings using force transducers. Phentolamine was added to the bath fluid 15 min before induction of contraction with the test compound to block alpha-adrenergic receptors. ED50 for procaterol was 11 nM.
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:09:49 UTC 2023
Edited
by admin
on Fri Dec 15 15:09:49 UTC 2023
Record UNII
8404I5HKFJ
Record Status Validated (UNII)
Record Version
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Name Type Language
PROCATEROL HYDROCHLORIDE HEMIHYDRATE
MI  
Common Name English
Procaterol hydrochloride hemihydrate [WHO-DD]
Common Name English
2(1H)-QUINOLINONE, 8-HYDROXY-5-((1R,2S)-1-HYDROXY-2-((1-METHYLETHYL)AMINO)BUTYL)-, HYDROCHLORIDE, HYDRATE (2:2:1), REL-
Common Name English
PROCATEROL HYDROCHLORIDE HYDRATE [JAN]
Common Name English
PROCATEROL HYDROCHLORIDE HYDRATE
JAN  
Common Name English
PROCATEROL HYDROCHLORIDE HEMIHYDRATE [MI]
Common Name English
Code System Code Type Description
SMS_ID
100000145103
Created by admin on Fri Dec 15 15:09:49 UTC 2023 , Edited by admin on Fri Dec 15 15:09:49 UTC 2023
PRIMARY
CAS
81262-93-3
Created by admin on Fri Dec 15 15:09:49 UTC 2023 , Edited by admin on Fri Dec 15 15:09:49 UTC 2023
PRIMARY
EVMPD
SUB123080
Created by admin on Fri Dec 15 15:09:49 UTC 2023 , Edited by admin on Fri Dec 15 15:09:49 UTC 2023
PRIMARY
MERCK INDEX
m9147
Created by admin on Fri Dec 15 15:09:49 UTC 2023 , Edited by admin on Fri Dec 15 15:09:49 UTC 2023
PRIMARY Merck Index
FDA UNII
8404I5HKFJ
Created by admin on Fri Dec 15 15:09:49 UTC 2023 , Edited by admin on Fri Dec 15 15:09:49 UTC 2023
PRIMARY
DRUG BANK
DBSALT001184
Created by admin on Fri Dec 15 15:09:49 UTC 2023 , Edited by admin on Fri Dec 15 15:09:49 UTC 2023
PRIMARY
EPA CompTox
DTXSID801001885
Created by admin on Fri Dec 15 15:09:49 UTC 2023 , Edited by admin on Fri Dec 15 15:09:49 UTC 2023
PRIMARY
PUBCHEM
23724982
Created by admin on Fri Dec 15 15:09:49 UTC 2023 , Edited by admin on Fri Dec 15 15:09:49 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY