Ss Pharma

CAS 219823-47-9

Chemistry, 2 End Use API, 87 Related Intermediates

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Also known as: 219823-47-9, (3r)-tetrahydrofuran-3-yl 4-methylbenzenesulfonate, A4fnd4p2ym, [(3r)-oxolan-3-yl] 4-methylbenzenesulfonate, (r)-toluene-4-sulfonic acid tetrahydrofuran-3-yl ester, (3r)-oxolan-3-yl 4-methylbenzene-1-sulfonate

Molecular Formula

C₁₁H₁₄O₄S

Molecular Weight

242.29 g/mol

InChI Key

WWCNXHYRAKUQDB-SNVBAGLBSA-N

FDA UNII

A4FND4P2YM

1 2D Structure

CAS 219823-47-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(3R)-oxolan-3-yl] 4-methylbenzenesulfonate

2.1.2 InChI

InChI=1S/C11H14O4S/c1-9-2-4-11(5-3-9)16(12,13)15-10-6-7-14-8-10/h2-5,10H,6-8H2,1H3/t10-/m1/s1

2.1.3 InChI Key

WWCNXHYRAKUQDB-SNVBAGLBSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCOC2

2.1.5 Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2CCOC2

2.2 Other Identifiers

2.2.1 UNII

A4FND4P2YM

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 219823-47-9

2. (3r)-tetrahydrofuran-3-yl 4-methylbenzenesulfonate

3. A4fnd4p2ym

4. [(3r)-oxolan-3-yl] 4-methylbenzenesulfonate

5. (r)-toluene-4-sulfonic Acid Tetrahydrofuran-3-yl Ester

6. (3r)-oxolan-3-yl 4-methylbenzene-1-sulfonate

7. 4-methylbenzenesulfonic Acid (3r)-oxolan-3-yl Ester

8. Tetrahydrofuran-3-yl 4-methylbenzenesulfonate, (3r)-

9. 3-furanol, Tetrahydro-, 3-(4-methylbenzenesulfonate), (3r)-

10. Mfcd27947543

11. Unii-a4fnd4p2ym

12. Schembl507364

13. Zinc34165052

14. Ac-29063

15. Bs-16642

16. Cs-0106178

17. R)-3-(p-toluenesulfonyl) Oxytetrahydrofuran

18. (3r)-oxolan-3-yl4-methylbenzene-1-sulfonate

19. (r)-tetrahydrofuran-3-yl4-methylbenzenesulfonate

20. (r)-3-(4-methylphenylsulfonyloxy)-tetrahydrofuran

21. (r)-tetrahydrofuran-3-yl-4-methylbenzenesulfonate

22. (r)-3-(4-methylphenyl-sulfonyloxy)-tetrahydrofuran

23. (r)-3-[(4-methylphenyl)sulphonyloxy]-tetrahydrofuran

24. [(3r)-tetrahydrofuran-3-yl] 4-methylbenzenesulfonate

25. P-toluenesulfonic Acid (r)-tetrahydrofuran-3-yl Ester

26. (r)-toluene-4-sulfonic Acid Tetrahydro-furan-3-yl Ester

27. Toluene-4-sulfonic Acid (r)-(tetrahydro-furan-3-yl) Ester

28. Toluene-4-sulfonic Acid (r)-(tetrahydro-furan-3-yl)ester

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₄O₄S
Molecular Weight	242.29 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	242.06128010 g/mol
Monoisotopic Mass	242.06128010 g/mol
Topological Polar Surface Area	61 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	311
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

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1-Chloro-2-[(4-Ethoxyphenly)Methyl]-4-Iodobenzene

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CAS Number

1103738-29-9

End Use API

Empagliflozin

About the Company

SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma i...

SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma intermediates, fine chemicals and pyridine derivatives for the domestic as well as international market. SS Pharma’s research activities extend from the development of active pharmaceuticals to fixed dose formulations for regulated markets. Its manufacturing facilities are state-of-the-art, multipurpose sites that comply with cGMP standards and meet the requirements of the US and EU drug regulatory authorities. SS Pharma is a CGMP, ISO 9001-2008 and ISO 14000:2004 certified company.

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