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Chemistry

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Also known as: 18109-81-4, Abbott 36581, Butamirate citrate [usan], Hh 197, Hh-197, Abbott-36581
Molecular Formula
C24H37NO10
Molecular Weight
499.6  g/mol
InChI Key
JVKMHUAWFDGPTF-UHFFFAOYSA-N
FDA UNII
67HP51L98R

Butamirate Citrate
1 2D Structure

Butamirate Citrate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[2-(diethylamino)ethoxy]ethyl 2-phenylbutanoate;2-hydroxypropane-1,2,3-tricarboxylic acid
2.1.2 InChI
InChI=1S/C18H29NO3.C6H8O7/c1-4-17(16-10-8-7-9-11-16)18(20)22-15-14-21-13-12-19(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11,17H,4-6,12-15H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
2.1.3 InChI Key
JVKMHUAWFDGPTF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC(C1=CC=CC=C1)C(=O)OCCOCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
2.2 Other Identifiers
2.2.1 UNII
67HP51L98R
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-(2-(diethylamino)ethoxy)ethyl-2-phenylbutyrate Citrate

2. 2-(2-diethylaminoethoxy)ethyl-2-phenylbutamyrate Dihydrogen Citrate

3. Butamirate

4. Butamyrate Citrate

5. Hh 197

6. Sinecod

2.3.2 Depositor-Supplied Synonyms

1. 18109-81-4

2. Abbott 36581

3. Butamirate Citrate [usan]

4. Hh 197

5. Hh-197

6. Abbott-36581

7. Butamirate (citrate)

8. Acodeen

9. Sincodeen

10. Sincodin

11. Sincodix

12. Sinecod

13. 2-(2-(diethylamino)ethoxy)ethyl 2-phenylbutyrate Citrate (1:1)

14. 67hp51l98r

15. 2-[2-(diethylamino)ethoxy]ethyl 2-phenylbutanoate;2-hydroxypropane-1,2,3-tricarboxylic Acid

16. Sincodex

17. Butamirate Citrate (usan)

18. Butamyrate Citrate

19. Dsstox_cid_26270

20. Dsstox_rid_81497

21. Dsstox_gsid_46270

22. Cas-18109-81-4

23. Einecs 242-006-8

24. Unii-67hp51l98r

25. Oxeladin Impurity D

26. 2-(2-(diethylamino)ethoxy)-ethyl 2-phenylbutyrate Citrate

27. Phenyl Acetic Acid Diethylaminoethoxyethanol Ester Citrate

28. 2-phenylbutyric Acid 2-(2-(diethylamino)ethoxy)ethyl Ester Citrate

29. Butamirate-[d5] Citrate

30. Alpha-ethylbenzeneacetic Acid 2-(2-(diethylamino)ethoxy)ethyl Ester Citrate

31. Schembl636120

32. Butamirate Citrate [mi]

33. Chembl2106133

34. Dtxsid0046270

35. Butamirate Citrate [mart.]

36. Bcp22355

37. Butamirate Citrate [who-dd]

38. Tox21_111952

39. Stk069532

40. Akos005390008

41. Diethyl(2-(2-(2-phenylbutyroyloxy)ethoxy)ethyl)ammonium Dihydrogencitrate

42. Tox21_111952_1

43. Butyric Acid, 2-phenyl-, 2-(2-(diethylamino)ethoxy)ethyl Ester, Citrate

44. Ncgc00160645-02

45. Alpha-ethylbenzeneacetic Acid, 2-(2-(diethylamino)ethoxy)ethyl Ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

46. Benzeneacetic Acid, Alpha-ethyl-2-(2-(diethylamino)ethoxy)ethyl Ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

47. Ft-0663922

48. Ft-0663923

49. D03184

50. J-011560

51. Q27264132

52. Alpha-(ethyl)benzeneacetic Acid 2-[2-(diethylamino)ethoxy]ethyl Ester

53. 2-[2-(diethylamino)ethoxy]ethyl 2-phenylbutanoate 2-hydroxypropane-1,2,3-tricarboxylate (salt)

54. Benzeneacetic Acid, .alpha.-ethyl-2-(2-(diethylamino)ethoxy)ethyl Ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 499.6 g/mol
Molecular Formula C24H37NO10
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count17
Exact Mass499.24174638 g/mol
Monoisotopic Mass499.24174638 g/mol
Topological Polar Surface Area171 Ų
Heavy Atom Count35
Formal Charge0
Complexity513
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

API Reference Price

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16-Jun-2021
21-Aug-2024
KGS
overview
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Average Price (USD/KGS)

Number of Transactions

Total Quantity (KGS)

Total Value (USD)

Quantity (KGS) & Unit rate (USD/KGS) over time

API Imports and Exports

Importing Country Total Quantity
(KGS)
Average Price
(USD/KGS)
Number of Transactions

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