METIPRANOLOL HYDROCHLORIDE

Synopsis, Chemistry

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Also known as: 36592-77-5, Metipranolol hcl, Betamann, Metipranololhydrochloride, Metipranolol (hydrochloride), Fbw237alkd

Molecular Formula

C₁₇H₂₈ClNO₄

Molecular Weight

345.9 g/mol

InChI Key

BLWNYSZZZWQCKO-UHFFFAOYSA-N

FDA UNII

FBW237ALKD

1 2D Structure

METIPRANOLOL HYDROCHLORIDE

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenyl] acetate;hydrochloride

2.1.2 InChI

InChI=1S/C17H27NO4.ClH/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4;/h7,10,15,18,20H,8-9H2,1-6H3;1H

2.1.3 InChI Key

BLWNYSZZZWQCKO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=C(C(=C1OC(=O)C)C)C)OCC(CNC(C)C)O.Cl

2.2 Other Identifiers

2.2.1 UNII

FBW237ALKD

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 36592-77-5

2. Metipranolol Hcl

3. Betamann

4. Metipranololhydrochloride

5. Metipranolol (hydrochloride)

6. Fbw237alkd

7. Chebi:34845

8. 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-2,3,6-trimethyl-phenol, 1-acetate, Monohydrochloride

9. Unii-fbw237alkd

10. Optipranolol (tn)

11. Schembl41879

12. Chembl1200947

13. Dtxsid80957866

14. Metipranolol Hydrochloride [mi]

15. [4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenyl] Acetate;hydrochloride

16. Hy-16316

17. Metipranolol Hydrochloride [vandf]

18. Phenol, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-2,3,6-trimethyl-, (+-)-, 1-acetate, Hydrochloride

19. Metipranolol Hydrochloride [who-dd]

20. Cs-0006289

21. D02081

22. Metipranolol Hydrochloride [orange Book]

23. Q27116294

24. (+/-)-1-(4-hydroxy-2,3,5-trimethylphenoxy)-3-(isopropylamino)-2-propanol 4-acetate Hydrochloride

25. 1-(2,3,5-trimethyl-4-acetoxyphenoxy)-3(isopropylamino)-2-propanol Monohydro Chloride

26. Phenol, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-2,3,6-trimethyl-, 1-acetate, Hydrochloride

27. Phenol, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-2,3,6-trimethyl-, 1-acetate, Hydrochloride (1:1)

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₈ClNO₄
Molecular Weight	345.9 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	345.1706861 g/mol
Monoisotopic Mass	345.1706861 g/mol
Topological Polar Surface Area	67.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	348
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2