Anvitha Lifecare

CAS 915095-99-7

Chemistry, 5 End Use API, 80 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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(S)(+)-3-hydroxy tetrahydrofuran

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CAS Number

86087-23-2

End Use API

Empagliflozin

About the Company

Established in 2016, a state-of-the-art R&D facility engaged in the development of Novel processes for Bu...

Established in 2016, a state-of-the-art R&D facility engaged in the development of Novel processes for Bulk Actives including Deuterated Actives, Advanced Intermediates and up the value chain. With experience, Anvitha Life Care Private Limited has knowledge and expertise as a leader in chemical research. Every decision is inspired by our main mission, which is to provide the highest standard of product and services to our clients. In this rapidly changing industry, we’ve realized the importance of continually updating our approach to stay relevant in the market, and are committed to just that.

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