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Technical details about Ibopamine, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 66195-31-1, Sb 7505, 4-(2-(methylamino)ethyl)-o-phenylene diisobutyrate, 8zca2i2l11, Propanoic acid, 2-methyl-, 4-(2-(methylamino)ethyl)-1,2-phenylene ester, Sb-7505
Molecular Formula
C17H25NO4
Molecular Weight
307.4  g/mol
InChI Key
WDKXLLJDNUBYCY-UHFFFAOYSA-N
FDA UNII
8ZCA2I2L11

ibopamine is a natural product found in Melodinus fusiformis with data available.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[4-[2-(methylamino)ethyl]-2-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate
2.1.2 InChI
InChI=1S/C17H25NO4/c1-11(2)16(19)21-14-7-6-13(8-9-18-5)10-15(14)22-17(20)12(3)4/h6-7,10-12,18H,8-9H2,1-5H3
2.1.3 InChI Key
WDKXLLJDNUBYCY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)C(=O)OC1=C(C=C(C=C1)CCNC)OC(=O)C(C)C
2.2 Other Identifiers
2.2.1 UNII
8ZCA2I2L11
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Escandine

2. Ibopamine Hydrochloride

3. Inopamil

4. N-methyldopamine Diisobutyrate

5. Propanoic Acid, 2-methyl-, 4-(2-(methylamino)ethyl)-1,2-phenylene Ester

6. Sb 7505

7. Sb-7505

2.3.2 Depositor-Supplied Synonyms

1. 66195-31-1

2. Sb 7505

3. 4-(2-(methylamino)ethyl)-o-phenylene Diisobutyrate

4. 8zca2i2l11

5. Propanoic Acid, 2-methyl-, 4-(2-(methylamino)ethyl)-1,2-phenylene Ester

6. Sb-7505

7. Ibopamino [inn-spanish]

8. Sb 7505; Sb 7505 (pharmaceutical); Skf 100168

9. Ibopaminum

10. Ibopamino

11. 4-(2-(methylamino)ethyl)-1,2-phenylene Bis(2-methylpropanoate)

12. Ibopaminum [inn-latin]

13. Einecs 266-229-5

14. Skf 100168

15. Unii-8zca2i2l11

16. Ibopamine [usan:inn:ban]

17. Trazyl

18. 4-(2-(methylamino)ethyl)-2-phenylendiisobutyrat

19. Ibopamine [inn]

20. Ibopamine [mi]

21. Ibopamine (usan/inn)

22. Ibopamine [usan]

23. Ibopamine [mart.]

24. [4-[2-(methylamino)ethyl]-2-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate

25. Ibopamine [who-dd]

26. Schembl147258

27. Chembl307739

28. Dtxsid3023138

29. Chebi:135306

30. Zinc1542906

31. Db13316

32. D04488

33. L013392

34. Q5984366

35. 4-[2-(methylamino)ethyl]benzene-1,2-diyl Bis(2-methylpropanoate)

36. 5-[2-(methylamino)ethyl]-2-[(2-methylpropanoyl)oxy]phenyl 2-methylpropanoate

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 307.4 g/mol
Molecular Formula C17H25NO4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass307.17835828 g/mol
Monoisotopic Mass307.17835828 g/mol
Topological Polar Surface Area64.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity368
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Cardiotonic Agents

Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE). (See all compounds classified as Cardiotonic Agents.)


Dopamine Agonists

Drugs that bind to and activate dopamine receptors. (See all compounds classified as Dopamine Agonists.)


Vasodilator Agents

Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)


Diuretics

Agents that promote the excretion of urine through their effects on kidney function. (See all compounds classified as Diuretics.)


Mydriatics

Agents that dilate the pupil. They may be either sympathomimetics or parasympatholytics. (See all compounds classified as Mydriatics.)


4.2 ATC Code

C - Cardiovascular system

C01 - Cardiac therapy

C01C - Cardiac stimulants excl. cardiac glycosides

C01CA - Adrenergic and dopaminergic agents

C01CA16 - Ibopamine


S - Sensory organs

S01 - Ophthalmologicals

S01F - Mydriatics and cycloplegics

S01FB - Sympathomimetics excl. antiglaucoma preparations

S01FB03 - Ibopamine


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