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1 Drugs in Development

1 Drugs in Development

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Also known as: 74639-40-0, Tanadopa, Docarpamine [inn], Docarpamina, Ta-870, Rpq57d8s72

Molecular Formula

C₂₁H₃₀N₂O₈S

Molecular Weight

470.5 g/mol

InChI Key

ZLVMAMIPILWYHQ-INIZCTEOSA-N

FDA UNII

RPQ57D8S72

1 2D Structure

Docarpamine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[4-[2-[[(2S)-2-acetamido-4-methylsulfanylbutanoyl]amino]ethyl]-2-ethoxycarbonyloxyphenyl] ethyl carbonate

2.1.2 InChI

InChI=1S/C21H30N2O8S/c1-5-28-20(26)30-17-8-7-15(13-18(17)31-21(27)29-6-2)9-11-22-19(25)16(10-12-32-4)23-14(3)24/h7-8,13,16H,5-6,9-12H2,1-4H3,(H,22,25)(H,23,24)/t16-/m0/s1

2.1.3 InChI Key

ZLVMAMIPILWYHQ-INIZCTEOSA-N

2.2 Other Identifiers

2.2.1 UNII

RPQ57D8S72

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Do Carpamine

2. N-(n-acetyl-l-methionyl)-o,o-bis(ethoxycarbonyl)dopamine

3. Ta 870

4. Ta-8704

2.3.2 Depositor-Supplied Synonyms

1. 74639-40-0

2. Tanadopa

3. Docarpamine [inn]

4. Docarpamina

5. Ta-870

6. Rpq57d8s72

7. Dtxsid1057820

8. [4-[2-[[(2s)-2-acetamido-4-methylsulfanylbutanoyl]amino]ethyl]-2-ethoxycarbonyloxyphenyl] Ethyl Carbonate

9. (-)-(s)-2-acetamido-n-(3,4-dihydroxyphenethyl)-4-(methylthio)butyramide Bis(ethyl Carbonate) (ester)

10. Docarpaminum

11. Do Carpamine

12. Docarpaminum [inn-latin]

13. Docarpamina [inn-spanish]

14. (s)-4-(2-(2-acetamido-4-(methylthio)butanamido)ethyl)-1,2-phenylene Diethyl Dicarbonate

15. Tanadopa (tn)

16. Unii-rpq57d8s72

17. Ta-8704

18. N-(n-acetyl-l-methionyl)-o,o-bis(ethoxycarbonyl)dopamine

19. Docarpamine (jan/inn)

20. Docarpamine [mi]

21. Docarpamine [jan]

22. Docarpamine [mart.]

23. Docarpamine [who-dd]

24. Schembl219671

25. Chembl2106351

26. Dtxcid8031609

27. Schembl23356827

28. Chebi:31513

29. Tox21_113707

30. Ncgc00249931-01

31. Carbonic Acid, 4-(2-((2-(acetylamino)-4-(methylthio)-1-oxobutyl)amino)ethyl)-1,2-phenylene Diethyl Ester, (s)-

32. Cas-74639-40-0

33. Ns00127253

34. D01903

35. Q27288234

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₃₀N₂O₈S
Molecular Weight	470.5 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	16
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	155
Heavy Atom Count	32
Formal Charge	0
Complexity	619
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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

Dopamine Agonists

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

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Docarpamine

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