Luseogliflozin

Synopsis, Chemistry

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Also known as: 898537-18-3, Luseogliflozin [inn], Ts-071, Ts-71, C596hwf74z, Chembl1093423

Molecular Formula

C₂₃H₃₀O₆S

Molecular Weight

434.5 g/mol

InChI Key

WHSOLWOTCHFFBK-ZQGJOIPISA-N

FDA UNII

C596HWF74Z

Luseogliflozin has been used in trials studying the treatment of Diabetes Melltius, Type 2.

1 2D Structure

Luseogliflozin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,3R,4R,5S,6R)-2-[5-[(4-ethoxyphenyl)methyl]-2-methoxy-4-methylphenyl]-6-(hydroxymethyl)thiane-3,4,5-triol

2.1.2 InChI

InChI=1S/C23H30O6S/c1-4-29-16-7-5-14(6-8-16)10-15-11-17(18(28-3)9-13(15)2)23-22(27)21(26)20(25)19(12-24)30-23/h5-9,11,19-27H,4,10,12H2,1-3H3/t19-,20-,21+,22-,23+/m1/s1

2.1.3 InChI Key

WHSOLWOTCHFFBK-ZQGJOIPISA-N

2.1.4 Canonical SMILES

CCOC1=CC=C(C=C1)CC2=CC(=C(C=C2C)OC)C3C(C(C(C(S3)CO)O)O)O

2.1.5 Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=CC(=C(C=C2C)OC)[C@H]3[C@@H]([C@H]([C@@H]([C@H](S3)CO)O)O)O

2.2 Other Identifiers

2.2.1 UNII

C596HWF74Z

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1,5-anhydro-1-(5-(4-ethoxybenzyl)-2-methoxy-4-methylphenyl)-1-thioglucitol

2. Lusefi

3. Ts 071

4. Ts-071

5. Ts071 Cpd

2.3.2 Depositor-Supplied Synonyms

1. 898537-18-3

2. Luseogliflozin [inn]

3. Ts-071

4. Ts-71

5. C596hwf74z

6. Chembl1093423

7. Lusefi

8. (2s,3r,4r,5s,6r)-2-(5-(4-ethoxybenzyl)-2-methoxy-4-methylphenyl)-6-(hydroxymethyl)tetrahydro-2h-thiopyran-3,4,5-triol

9. (2s,3r,4r,5s,6r)-2-[5-[(4-ethoxyphenyl)methyl]-2-methoxy-4-methylphenyl]-6-(hydroxymethyl)thiane-3,4,5-triol

10. D-glucitol, 1,5-dideoxy-1,5-epithio-1-c-(5-((4-ethoxyphenyl)methyl)-2-methoxy-4-methylphenyl)-, (1s)-

11. D-glucitol, 1,5-dideoxy-1,5-epithio-1-c-[5-[(4-ethoxyphenyl)methyl]-2-methoxy-4-methylphenyl]-, (1s)-

12. Ts 071

13. Unii-c596hwf74z

14. (2s,3r,4r,5s,6r)-2-(5-((4-ethoxyphenyl)methyl)-2-methoxy-4-methylphenyl)-6-(hydroxymethyl)thiane-3,4,5-triol

15. Ts71

16. Ts071 Cpd

17. Luseogliflozin [mi]

18. Schembl1487519

19. Luseogliflozin [who-dd]

20. Dtxsid10237921

21. Chebi:134725

22. Ts071

23. Bdbm50315426

24. Akos027326750

25. Db12214

26. D-glucitol, 1,5-dideoxy-1,5-epithio-1-c-[5-[(4-ethoxyphenyl)methyl]-2-methoxy-4-methylphenyl]-, (1s)

27. A13476

28. Q27275212

29. (1s)-1,5-anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4-methylphenyl]-1-thio-d-glucitol

2.4 Create Date

2007-02-05

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₃₀O₆S
Molecular Weight	434.5 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	125
Heavy Atom Count	30
Formal Charge	0
Complexity	514
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