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Procaterol

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Chemistry

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Also known as: Procaterol hcl, Chebi:32056, 62929-91-3, 81262-93-3, Opc-2009, Procaterol hydrochloride (usan)

Molecular Formula

C₁₆H₂₃ClN₂O₃

Molecular Weight

326.82 g/mol

InChI Key

AEQDBKHAAWUCMT-UHFFFAOYSA-N

A long-acting beta-2-adrenergic receptor agonist.

1 2D Structure

Procaterol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C16H22N2O3.ClH/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15;/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20);1H

2.1.3 InChI Key

AEQDBKHAAWUCMT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)O)O)NC(C)C.Cl

2.2 Synonyms

2.2.1 MeSH Synonyms

1. (r*,s*)-(+-)-8-hydroxy-5-(1-hydroxy-2-((1-methylethyl)amino)butyl)-2(1h)-quinolinone

2. Ci 888

3. Ci-888

4. Ci888

5. Hydrochloride, Procaterol

6. Monohydrochloride, Procaterol

7. Opc 2009

8. Opc-2009

9. Opc2009

10. Pro Air

11. Pro-air

12. Proair

13. Procaterol

14. Procaterol Monohydrochloride

15. Procaterol Monohydrochloride, (r*,r*)-(+)-isomer

16. Procaterol Monohydrochloride, (r*,r*)-(+-)-isomer

17. Procaterol Monohydrochloride, (r*,r*)-(-)-isomer

18. Procaterol Monohydrochloride, (r*,s*)-(+)-isomer

19. Procaterol Monohydrochloride, (r*,s*)-(-)-isomer

20. Procaterol, (r*,r*)-(+-)-isomer

21. Procaterol, (r*,s*)-(-)-isomer

2.2.2 Depositor-Supplied Synonyms

1. Procaterol Hcl

2. Chebi:32056

3. 62929-91-3

4. 81262-93-3

5. Opc-2009

6. Procaterol Hydrochloride (usan)

7. Ci-888

8. 59828-07-8

9. Pro-air (tn)

10. Mls000028683

11. Schembl124726

12. Chembl1322218

13. Ccg-39328

14. Akos015967634

15. Ac-4219

16. Smr000058864

17. Db-054335

18. Ft-0630735

19. Ft-0630887

20. D02404

21. Q27114767

22. 5-(1-hydroxy-2-isopropylaminobutyl)-8-hydroxycarbostyril Hydrochloride

23. 8-hydroxy-5-(1-hydroxy-2-(isopropylamino)butyl)quinolin-2(1h)-one Hydrochloride

2.3 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₃ClN₂O₃
Molecular Weight	326.82 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	326.1397203 g/mol
Monoisotopic Mass	326.1397203 g/mol
Topological Polar Surface Area	81.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	397
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Adrenergic beta-2 Receptor Agonists

Compounds bind to and activate ADRENERGIC BETA-2 RECEPTORS. (See all compounds classified as Adrenergic beta-2 Receptor Agonists.)

Bronchodilator Agents

Agents that cause an increase in the expansion of a bronchus or bronchial tubes. (See all compounds classified as Bronchodilator Agents.)

Sympathomimetics

Drugs that mimic the effects of stimulating postganglionic adrenergic sympathetic nerves. Included here are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters. (See all compounds classified as Sympathomimetics.)

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