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Chemistry

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Also known as: 122946-43-4, Reolase, Telmesteine [inn], (4r)-3-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid, 124i3fe35t, Telmesteine (inn)

Molecular Formula

C₇H₁₁NO₄S

Molecular Weight

205.23 g/mol

InChI Key

XBJWOGLKABXFJE-YFKPBYRVSA-N

FDA UNII

124I3FE35T

1 2D Structure

Telmesteine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4R)-3-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid

2.1.2 InChI

InChI=1S/C7H11NO4S/c1-2-12-7(11)8-4-13-3-5(8)6(9)10/h5H,2-4H2,1H3,(H,9,10)/t5-/m0/s1

2.1.3 InChI Key

XBJWOGLKABXFJE-YFKPBYRVSA-N

2.1.4 Canonical SMILES

CCOC(=O)N1CSCC1C(=O)O

2.1.5 Isomeric SMILES

CCOC(=O)N1CSC[C@H]1C(=O)O

2.2 Other Identifiers

2.2.1 UNII

124I3FE35T

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-ethylhydrogen-3,4-thiazolidinedicarboxylate

2. Telmestein

2.3.2 Depositor-Supplied Synonyms

1. 122946-43-4

2. Reolase

3. Telmesteine [inn]

4. (4r)-3-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic Acid

5. 124i3fe35t

6. Telmesteine (inn)

7. 3,4-thiazolidinedicarboxylic Acid, 3-ethyl Ester, (4r)-

8. Telmesteina

9. Telmesteinum

10. Telmesteinum [inn-latin]

11. Telmesteina [inn-spanish]

12. (r)-3-(ethoxycarbonyl)thiazolidine-4-carboxylic Acid

13. Unii-124i3fe35t

14. Reolase (tn)

15. Telmesteine [inci]

16. Telmesteine [mart.]

17. Telmesteine [who-dd]

18. Schembl637246

19. Chembl2107621

20. Dtxsid60153804

21. Chebi:134866

22. Zinc2529189

23. Akos010385372

24. D08565

25. Q27251366

26. (-)-3-ethyl Hydrogen (r)-3,4-thiazolidinedicarboxylate

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₁NO₄S
Molecular Weight	205.23 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	205.04087901 g/mol
Monoisotopic Mass	205.04087901 g/mol
Topological Polar Surface Area	92.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	221
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