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Also known as: 461432-25-7, Dapagliflozin tetraacetate, [(2r,3r,4r,5s,6s)-3,4,5-triacetyloxy-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]oxan-2-yl]methyl acetate, (1s)-1,5-anhydro-1-c-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-d-glucitol tetraacetate, (1s)-2,3,4,6-tetra-o-acetyl-1,5-anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phenyl]-d-glucitol, (1s)-2,3,4,6-tetra-o-acetyl-1,5-anhydro-1-(4-chloro-3-(4-ethoxybenzyl)phenyl)-d-glucitol
Molecular Formula
C29H33ClO10
Molecular Weight
577.0  g/mol
InChI Key
DKOQYKRDCDCNOR-ZCCUTQAASA-N

CAS 461432-25-7
1 2D Structure

CAS 461432-25-7

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-ethoxyphenyl)methyl]phenyl]oxan-2-yl]methyl acetate
2.1.2 InChI
InChI=1S/C29H33ClO10/c1-6-35-23-10-7-20(8-11-23)13-22-14-21(9-12-24(22)30)26-28(38-18(4)33)29(39-19(5)34)27(37-17(3)32)25(40-26)15-36-16(2)31/h7-12,14,25-29H,6,13,15H2,1-5H3/t25-,26+,27-,28+,29+/m1/s1
2.1.3 InChI Key
DKOQYKRDCDCNOR-ZCCUTQAASA-N
2.1.4 Canonical SMILES
CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)Cl
2.1.5 Isomeric SMILES
CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 461432-25-7

2. Dapagliflozin Tetraacetate

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

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

5. (1s)-2,3,4,6-tetra-o-acetyl-1,5-anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phenyl]-d-glucitol

6. (1s)-2,3,4,6-tetra-o-acetyl-1,5-anhydro-1-(4-chloro-3-(4-ethoxybenzyl)phenyl)-d-glucitol

7. (2r,3r,4r,5s,6s)-2-(acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)-phenyl)tetrahydro-2h-pyran-3,4,5-triyl Triacetate

8. Dapagliflozin Tetraacetate ([(2r,3r,4r,5s,6s)-3,4,5-triacetoxy-6-[4-chloro-3-(4-ethoxybenzyl)phenyl]tetrahydropyran-2-yl]methyl Acetate)

9. Mfcd22494949

10. Cid 10415783

11. Ec 930-010-9

12. Schembl208112

13. Dtxsid50439487

14. Amy16480

15. Akos015999910

16. Zinc100022448

17. Ac-30644

18. Ds-17942

19. Cs-0009472

20. F11505

21. A897845

22. (1s)-1,5-anhydro-1-c-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-d-glucitol Tetraacetate;(2r,3r,4r,5s,6s)-2-(acetoxymethyl)-6-[4-chloro-3-(4-ethoxybenzyl)phenyl]tetrahydropyran-3,4,5-triyl Triacetate

23. (2r,3r,4r,5s,6s)-2-(acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2h-pyran-3,4,5-triyltriacetate

24. Acetic Acid (2r,3r,4r,5s,6s)-3,4,5-triacetoxy-6-[4-chloro-3-(4-ethoxy-benzyl)-phenyl]-tetrahydro-pyran-2-ylmethyl Ester

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 577.0 g/mol
Molecular Formula C29H33ClO10
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Exact Mass576.1762249 g/mol
Monoisotopic Mass576.1762249 g/mol
Topological Polar Surface Area124 Ų
Heavy Atom Count40
Formal Charge0
Complexity873
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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Virtual BoothFaran Shimi: Leading producer of high-quality APIs & alkaloid opiates, serving major pharmaceutical companies across the Middle East.

Dapagliflozin Tetraacetate

CAS Number : 461432-25-7

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About the Company : Faran Shimi Pharmaceutical Company, established in 2001 and affiliated with Golrang Pharmaceutical Investment Co, manufactures high-quality Active Pharmaceutical Ingredients (APIs) and ...

Faran Shimi Pharmaceutical

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Virtual BoothChina's leading API and intermediate manufacturer, offering CMO/CDMO services and exports to 70+ countries, enhancing global health.

[(2R,3R,4R,5S,6S)-3,4,5- triacetyloxy-6-[4-chloro-...

CAS Number : 461432-25-7

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About the Company : Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. is specialized in R&D and production of APIs and advanced intermediates. With 22 years of production experience,the company has 6 wor...

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Virtual BoothAarti Pharmalabs is a partner of choice for APIs & Intermediates and the largest Indian manufacturer of Xanthine Derivatives.

(2S)-2-(8-amino-1-bromoimidazo[1,5-a] pyrazin-3-yl...

CAS Number : 461432-25-7

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About the Company : Aarti Pharmalab, earlier the pharma division of Aarti Industries, is a leading Indian manufacturer of APIs. It has dedicated facilities to manufacture HPAPIs, corticosteroids, cytotoxic...

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Virtual BoothPorton Pharma Solutions: Value creation via innovation & discovery through technical platforms.

(2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(4- chloro-3-...

CAS Number : 461432-25-7

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About the Company : Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzhen Stock Exchange in 2014. Our R&D, manufacturing & operation facilities are loc...

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D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(4-ethoxy...

CAS Number : 461432-25-7

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About the Company : Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic segments. With a strong emphasis on excellence and advanced technologies, Kimia ai...

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(2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-[4-chloro-3-(...

CAS Number : 461432-25-7

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About the Company : Morepen Laboratories Ltd.’ is 31 years old company. Went to public in 1993. Manufacturer and Exporter of complex and high margins molecules (APIs/Intermediates) for regulated markets ...

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(1S)-1,5-anhydro-1-c-[4-chloro-3-[(4-ethoxyphenyl)...

CAS Number : 461432-25-7

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About the Company : Nanjing Lift Pharmaceutical is a specialized company concentrating on the R&D, production, marketing and technical service of APIs, pharmaceutical intermediates and specialty chemicals....

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Pluviaendo

Turkey
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Dapagliflozin Tetraacetate

CAS Number : 461432-25-7

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About the Company : Pluvia Consumer Health is a multinational pharmaceutical company with its head office in Turkey/Istanbul & with unique molecules & know-how. Our portfolio contains several specific APIs...

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Acetyl DAPA

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About the Company : Smruthi Organics Limited was started as an API and Intermediates manufacturing company in 1989 by Chairman and Managing Director, Mr. Purushotham Eaga. The company is a public limited ...

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(2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(4-chloro-3-(...

CAS Number : 461432-25-7

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About the Company : Srini Pharmaceuticals Pvt. Ltd., was established in 1995. USFDA, TGA and KFDA approved fully integrated global pharmaceutical company, located just about 60 KM's away from the Pharma Ca...

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