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Also known as: Cp-70429, Cp-70,429, 120788-07-0, Xx514bj1xw, (5r,6s)-6-((1r)-1-hydroxyethyl)-7-oxo-3-(((3s)-tetrahydro-3-thienyl)thio)-4-thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, (r)-s-oxide, Sulopenem [inn]

Molecular Formula

C₁₂H₁₅NO₅S₃

Molecular Weight

349.5 g/mol

InChI Key

FLSUCZWOEMTFAQ-PRBGKLEPSA-N

FDA UNII

XX514BJ1XW

Sulopenem is a parenteral thiopenem with broad-spectrum antibacterial activity against most gram-positive and gram-negative bacteria. Sulopenem is not active against Pseudomonas aeruginosa. In addition, this agent is fairly stable against hydrolysis by various beta-lactamases.

1 2D Structure

Sulopenem

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(1R,3S)-1-oxothiolan-3-yl]sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

2.1.2 InChI

InChI=1S/C12H15NO5S3/c1-5(14)7-9(15)13-8(11(16)17)12(20-10(7)13)19-6-2-3-21(18)4-6/h5-7,10,14H,2-4H2,1H3,(H,16,17)/t5-,6+,7+,10-,21-/m1/s1

2.1.3 InChI Key

FLSUCZWOEMTFAQ-PRBGKLEPSA-N

2.1.4 Canonical SMILES

CC(C1C2N(C1=O)C(=C(S2)SC3CCS(=O)C3)C(=O)O)O

2.1.5 Isomeric SMILES

C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)S[C@H]3CC[S@@](=O)C3)C(=O)O)O

2.2 Other Identifiers

2.2.1 UNII

XX514BJ1XW

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Cp 70429

2. Cp-70,429

3. Cp-70429

2.3.2 Depositor-Supplied Synonyms

1. Cp-70429

2. Cp-70,429

3. 120788-07-0

4. Xx514bj1xw

5. (5r,6s)-6-((1r)-1-hydroxyethyl)-7-oxo-3-(((3s)-tetrahydro-3-thienyl)thio)-4-thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic Acid, (r)-s-oxide

6. Sulopenem [inn]

7. Sulopenem (usan/inn)

8. Sulopenem [usan]

9. Schembl2256409

10. Chembl1908305

11. Sulopenem, >=98% (hplc)

12. Gtpl10862

13. Dtxsid20869656

14. Ex-a4518

15. Zinc3781858

16. Cp-65207-s

17. Cp70429

18. Db15284

19. Ac-33244

20. Hy-105284

21. Cs-0025618

22. D05969

23. Q27294038

24. (5r,6s)-6-((1r)-1-hydroxyethyl)-7-oxo-3-(((1r,3s)-1-oxotetrahydro-1h-1.lamba.(sup 4)-thiophen-3-yl)sulfanyl)-4-thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic Acid

25. (5r,6s)-6-[(1r)-1-hydroxyethyl]-7-oxo-3-[(1r,3s)-1-oxothiolan-3-yl]sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid

26. 4-thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic Acid, 6-((1r)-1-hydroxyethyl)-7-oxo-3-(((1r,3s)-tetrahydro-1-oxido-3-thienyl)thio)-, (5r,6s)-

27. 4-thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic Acid, 6-(1-hydroxyethyl)-7-oxo-3-((tetrahydro-3-thienyl)thio)-, S-oxide, (5r-(3(1r*,3s*),5.alpha.,6.alpha.(r*)))-

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₅NO₅S₃
Molecular Weight	349.5 g/mol
XLogP3	0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	349.01123610 g/mol
Monoisotopic Mass	349.01123610 g/mol
Topological Polar Surface Area	165 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	563
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1