Vijayasri Organics Limited

CAS 915095-99-7

Chemistry, 5 End Use API, 84 Related Intermediates

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Also known as: 915095-99-7, [(2r,3r,4r,5s,6s)-3,4,5-triacetyloxy-6-[4-chloro-3-[[4-[(3s)-oxolan-3-yl]oxyphenyl]methyl]phenyl]oxan-2-yl]methyl acetate, Acetoxy empagliflozin, Schembl1714371, Amy18492, Zb1712

Molecular Formula

C₃₁H₃₅ClO₁₁

Molecular Weight

619.1 g/mol

InChI Key

IVTYEGRDCQLUJE-KTUPMIEBSA-N

1 2D Structure

CAS 915095-99-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]oxan-2-yl]methyl acetate

2.1.2 InChI

InChI=1S/C31H35ClO11/c1-17(33)38-16-27-29(39-18(2)34)31(41-20(4)36)30(40-19(3)35)28(43-27)22-7-10-26(32)23(14-22)13-21-5-8-24(9-6-21)42-25-11-12-37-15-25/h5-10,14,25,27-31H,11-13,15-16H2,1-4H3/t25-,27+,28-,29+,30-,31-/m0/s1

2.1.3 InChI Key

IVTYEGRDCQLUJE-KTUPMIEBSA-N

2.1.4 Canonical SMILES

CC(=O)OCC1C(C(C(C(O1)C2=CC(=C(C=C2)Cl)CC3=CC=C(C=C3)OC4CCOC4)OC(=O)C)OC(=O)C)OC(=O)C

2.1.5 Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C2=CC(=C(C=C2)Cl)CC3=CC=C(C=C3)O[C@H]4CCOC4)OC(=O)C)OC(=O)C)OC(=O)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 915095-99-7

2. [(2r,3r,4r,5s,6s)-3,4,5-triacetyloxy-6-[4-chloro-3-[[4-[(3s)-oxolan-3-yl]oxyphenyl]methyl]phenyl]oxan-2-yl]methyl Acetate

3. Acetoxy Empagliflozin

4. Schembl1714371

5. Amy18492

6. Zb1712

7. Bs-51344

8. F71486

9. (1s)-1,5-anhydro-1-c-[4-chloro-3-[[4-[[(3s)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-d-glucitol Tetraacetate

10. (2r,3r,4r,5s,6s)-2-(acetoxymethyl)-6-(4-chloro-3-(4-(((s)-te; Trahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2h-pyran-3,4,5-triyl Triacetate

11. (2r,3r,4r,5s,6s)-2-(acetoxymethyl)-6-(4-chloro-3-(4-(((s)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2h-pyran-3,4,5-triyltriacetate

12. 1-[3-[4-[[(3s)-tetrahydrofuran-3-yl]oxy]benzyl]-4-chlorophenyl]-2-o,3-o,4-o,6-o-tetraacetyl-1-deoxy-beta-d-glucopyranose

2.3 Create Date

2012-08-20

3 Chemical and Physical Properties

Molecular Formula	C₃₁H₃₅ClO₁₁
Molecular Weight	619.1 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	14
Exact Mass	618.1867896 g/mol
Monoisotopic Mass	618.1867896 g/mol
Topological Polar Surface Area	133 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	967
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

32384-65-9

End Use API

Empagliflozin

About the Company

We introduce ourselves as manufacturer of Active Pharmaceutical Ingredients (API) and intermediates with ...

We introduce ourselves as manufacturer of Active Pharmaceutical Ingredients (API) and intermediates with a professional approach that is aimed at finest results. We have etched a respectable place in the industry with proven expertise in manufacturing a wide spectrum of products. Vijayasri today is one of the prominent manufacturers of Active Pharmaceutical Ingredients (API) and intermediates. Our excellent Performance in Contract manufacturing over the years has also earned us the status of a trustable name in the pharmaceutical industry.

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