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ACTIVE PHARMA INGREDIENTS

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Bioquim Penethamate Hydriodide

Synopsis

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Chemistry

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Also known as: 808-71-9, Ephicillin hydriodide, Alivin, Benzylpenicillin diethylaminoethyl ester hydroiodide, Ga14as9qok, Benzylpenicillin beta-diethylaminoethyl ester hydriodide

Molecular Formula

C₂₂H₃₂IN₃O₄S

Molecular Weight

561.5 g/mol

InChI Key

XWRCFDRXQPRCCO-FLQNVMKHSA-N

FDA UNII

GA14AS9QOK

1 2D Structure

Penethamate Hydriodide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(diethylamino)ethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydroiodide

2.1.2 InChI

InChI=1S/C22H31N3O4S.HI/c1-5-24(6-2)12-13-29-21(28)18-22(3,4)30-20-17(19(27)25(18)20)23-16(26)14-15-10-8-7-9-11-15;/h7-11,17-18,20H,5-6,12-14H2,1-4H3,(H,23,26);1H/t17-,18+,20-;/m1./s1

2.1.3 InChI Key

XWRCFDRXQPRCCO-FLQNVMKHSA-N

2.1.4 Canonical SMILES

CCN(CC)CCOC(=O)C1C(SC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)(C)C.I

2.1.5 Isomeric SMILES

CCN(CC)CCOC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)(C)C.I

2.2 Other Identifiers

2.2.1 UNII

GA14AS9QOK

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Benzylpenicillin-diethylaminoethyl Ester Hydroiodide

2. Leocillin

3. Mamyzin

4. Penethamate

5. Penethamate Hydroiodide

6. Penethamate Hydroiodide, Monohydrochloride

7. Penethamathydrojodid

8. Penicillin G 2-(diethylamino)ethyl Ester Hydroiodide

2.3.2 Depositor-Supplied Synonyms

1. 808-71-9

2. Ephicillin Hydriodide

3. Alivin

4. Benzylpenicillin Diethylaminoethyl Ester Hydroiodide

5. Ga14as9qok

6. Benzylpenicillin Beta-diethylaminoethyl Ester Hydriodide

7. Bronchocillin

8. Penethamate Hydroiodide

9. 2-(diethylamino)ethyl (2s,5r,6r)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydroiodide

10. Diethyl(2-(6-(2-phenylacetamido)penicillanoyloxy)ethyl)ammonium Iodide

11. Bronchopen

12. Penethacillin

13. Broncopen

14. Eficillin

15. Estopen

16. Leocillin

17. Neopenil

18. 2-diethylaminoethyl (6r)-6-(2-phenylacetamido)penicillanate Hydriodide

19. Pulmaxil N

20. Neo-penil

21. Hydrogen 2-(diethylamino)ethyl (2s,5r,6r)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Iodide

22. Penethamate (hydriodide)

23. Pulmo 500

24. Unii-ga14as9qok

25. Einecs 212-367-6

26. Diethylaminoethyl Ester Penicillin Hydriodide

27. Penicillin G Diethylaminoethyl Ester Hydriodide

28. Schembl34137

29. Beta-diethylaminoethyl Benzylpenicillinate Hydriodide

30. Penicillin, 2-(diethylamino)ethyl Ester, Hydriodide

31. Penicillin G, 2-(diethylamino)ethyl Ester, Hydriodide

32. Chembl2105292

33. Xwrcfdrxqprcco-flqnvmkhsa-n

34. Dtxsid701001537

35. Penethamate Hydriodide [mi]

36. Akos030528623

37. Penethamate Hydriodide [mart.]

38. Es-2025

39. Penethamate Hydriodide [who-dd]

40. 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)- (2s-(2alpha,5alpha,6beta))-, 2-(diethylamino)ethyl Ester, Monohydriodide

41. A9493

42. Diethylaminoethyl Ester Penicillin G Hydriodide

43. Q27278988

44. 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-, (2s,5r,6r)-, 2-(diethylamino)ethyl Ester, Monohydriodide

45. 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-, 2-(diethylamino)ethyl Ester, Monohydriodide

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₃₂IN₃O₄S
Molecular Weight	561.5 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	104
Heavy Atom Count	31
Formal Charge	0
Complexity	646
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2