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Ibopamine

Ibopamine

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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

Ibopamine

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 Formula	C₁₇H₂₅NO₄
Molecular Weight	307.4 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	307.17835828 g/mol
Monoisotopic Mass	307.17835828 g/mol
Topological Polar Surface Area	64.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	368
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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