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CAS 1809403-05-1

CAS 1809403-05-1

Chemistry, 1 End Use API, 35 Related Intermediates

Manufacturers/Suppliers

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Also known as: Canagliflozin monohydrate, B2l6aes9xq, Canagliflozin hydrate, 1809403-05-1, D-glucitol, 1,5-anhydro-1-c-(3-((5-(4-fluorophenyl)-2-thienyl)methyl)-4-methylphenyl)-, hydrate (1:1), (1s)-, Mfcd28975933

Molecular Formula

C₂₄H₂₇FO₆S

Molecular Weight

462.5 g/mol

InChI Key

RCCZPUWDQVUJAB-FVYJGOGTSA-N

FDA UNII

B2L6AES9XQ

A glucoside-derived SODIUM-GLUCOSE TRANSPORTER 2 inhibitor that stimulates urinary excretion of glucose by suppressing renal glucose reabsorption. It is used to manage BLOOD GLUCOSE levels in patients with TYPE 2 DIABETES.

1 2D Structure

CAS 1809403-05-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;hydrate

2.1.2 InChI

InChI=1S/C24H25FO5S.H2O/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14;/h2-10,19,21-24,26-29H,11-12H2,1H3;1H2/t19-,21-,22+,23-,24+;/m1./s1

2.1.3 InChI Key

RCCZPUWDQVUJAB-FVYJGOGTSA-N

2.1.4 Canonical SMILES

CC1=C(C=C(C=C1)C2C(C(C(C(O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F.O

2.1.5 Isomeric SMILES

CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F.O

2.2 Other Identifiers

2.2.1 UNII

B2L6AES9XQ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-(glucopyranosyl)-4-methyl-3-(5-(4-fluorophenyl)-2-thienylmethyl)benzene - T777973

2. Canagliflozin

3. Canagliflozin, Anhydrous

4. Invokana

2.3.2 Depositor-Supplied Synonyms

1. Canagliflozin Monohydrate

2. B2l6aes9xq

3. Canagliflozin Hydrate

4. 1809403-05-1

5. D-glucitol, 1,5-anhydro-1-c-(3-((5-(4-fluorophenyl)-2-thienyl)methyl)-4-methylphenyl)-, Hydrate (1:1), (1s)-

6. Mfcd28975933

7. Unii-b2l6aes9xq

8. Schembl322059

9. Chembl4594217

10. Jnj-28431754; Ta 7284

11. (2s,3r,4r,5s,6r)-2-(3-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-6-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol Hemihydrate

2.4 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₂₇FO₆S
Molecular Weight	462.5 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	462.15123791 g/mol
Monoisotopic Mass	462.15123791 g/mol
Topological Polar Surface Area	119 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	574
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Sodium-Glucose Transporter 2 Inhibitors

Compounds that inhibit SODIUM-GLUCOSE TRANSPORTER 2. They lower blood sugar by preventing the reabsorption of glucose by the kidney and are used in the treatment of TYPE 2 DIABETES MELLITUS. (See all compounds classified as Sodium-Glucose Transporter 2 Inhibitors.)

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CAS Number

32384-65-9

End Use API

Canagliflozin

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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