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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 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

End Use API :

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...

Shandong Chenghui Shuangda Pharmaceutical

02

  • fda
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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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03

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CPHI Shenzhen
Not Confirmed

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

CAS Number : 461432-25-7

End Use API :

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

CAS Number : 461432-25-7

End Use API :

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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05

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

CAS Number : 461432-25-7

End Use API :

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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06

CPHI Shenzhen
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Pluviaendo

Turkey
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Dapagliflozin Tetraacetate

CAS Number : 461432-25-7

End Use API :

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

CAS Number : 461432-25-7

End Use API :

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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Acetyl DAPA

CAS Number : 461432-25-7

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

CAS Number : 461432-25-7

End Use API :

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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SS Pharma

India
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CPHI Shenzhen
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Dapagliflozin Tetraacetate

CAS Number : 461432-25-7

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About the Company : SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma intermediates, fine chemicals and pyridine derivatives for the domestic as well a...

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Polpharma is a Polish CDMO of APIs and a significant European API producer, delivering products to companies worldwide.

Dr. Reddy's Laboratories

DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

Metrochem API Private Lim...

Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

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LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

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Polpharma

Polpharma is a Polish CDMO of APIs and a significant European API producer, delivering products to companies worldwide.

Dr. Reddy's Laboratories

DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

Metrochem API Private Lim...

Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

Shandong Chenghui Shuangd...

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

Neuland Laboratories

Neuland Laboratories- A dedicated 100% API provider.

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